%chk=000101156.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101156

0 1
 O    1.343800       2.912000      -1.063500    
 N    2.003300       3.830200      0.9274000    
 C    3.745800      0.6311000      0.2495000    
 C    3.949200     -0.8536000     -5.6699999E-02
 C    3.929000       1.549200     -0.9649000    
 C    3.769600      -1.707400       1.201500    
 C    3.700800       3.031200     -0.6773000    
 C    3.980300      -3.206600      0.9564000    
 C    2.317700       3.290900     -0.2062000    
 C   0.1393000       3.050000     -0.3184000    
 C    3.050500      -3.842600     -8.2800001E-02
 C   0.5383000       3.926700      0.8564000    
 C   -5.085900     -0.9963000      4.8000002E-03
 C   -3.601100      -1.076700     -0.3592000    
 C   -5.560300      0.4568000      7.9700001E-02
 C  -0.3487000       1.671600      0.1038000    
 C   -3.135200      -2.529800     -0.4721000    
 C   -7.046700      0.5925000      0.4169000    
 C    1.601000      -3.773400      0.3039000    
 C   -1.686900      -2.608700     -0.8609000    
 C   0.6527000      -3.223000     -0.4690000    
 C   -7.517200       2.035200      0.5179000    
 C  -0.7394000      -3.159200     -8.7300003E-02
 H    4.451900      0.9383000       1.031300    
 H    2.741700      0.7654000      0.6658000    
 H    3.229700      -1.150700     -0.8270000    
 H    4.952800      -1.011200     -0.4690000    
 H    3.251100       1.220400      -1.762600    
 H    4.947400       1.424000      -1.353100    
 H    2.771100      -1.538800       1.622200    
 H    4.486600      -1.379800       1.964500    
 H    3.871500       3.621100      -1.584400    
 H    4.410200       3.381000      8.1100002E-02
 H    3.868200      -3.733000       1.913000    
 H    5.017400      -3.369000      0.6368000    
 H  -0.6193000       3.540000     -0.9378000    
 H    3.318700      -4.902300     -0.1781000    
 H    3.222600      -3.399300      -1.069900    
 H   7.2400004E-02   3.615100       1.796500    
 H   0.2636000       4.971800      0.6729000    
 H   -5.678700      -1.534600     -0.7445000    
 H   -5.257700      -1.489000      0.9692000    
 H   -3.429000     -0.5572000      -1.310500    
 H   -3.008100     -0.5546000      0.4025000    
 H   -4.970600      0.9900000      0.8358000    
 H   -5.366000      0.9522000     -0.8798000    
 H  -0.5200000       1.042600     -0.7764000    
 H   -1.282600       1.742000      0.6697000    
 H   0.3921000       1.153100      0.7209000    
 H   -3.313100      -3.048400      0.4779000    
 H   -3.726300      -3.051600      -1.234200    
 H   -7.250000      8.7800004E-02   1.368900    
 H   -7.640700      7.8599997E-02 -0.3482000    
 H    1.332600      -4.211000       1.263100    
 H   -1.421300      -2.191100      -1.829800    
 H   0.9273000      -2.793600      -1.429300    
 H   -7.363600       2.562600     -0.4287000    
 H   -8.583900       2.071600      0.7599000    
 H   -6.970900       2.569600       1.301600    
 H   -1.011900      -3.577000      0.8785000    


%chk=000101156-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101156

0 1
O 1.388897 2.888167 -1.245149
N 1.751476 3.746497 0.893013
C 3.814132 0.601741 0.404115
C 4.101556 -0.880591 0.076318
C 4.066507 1.543272 -0.793441
C 3.819036 -1.821023 1.270080
C 3.733384 3.029980 -0.490160
C 4.101922 -3.316393 0.987877
C 2.276955 3.256948 -0.197125
C -0.005946 3.114383 -0.702438
C 3.191116 -3.948199 -0.108797
C 0.264901 3.789027 0.687445
C -5.072377 -0.906284 0.072329
C -3.568911 -1.005889 -0.268735
C -5.562206 0.549017 0.247387
C -0.733509 1.770721 -0.633262
C -3.084364 -2.470872 -0.453593
C -7.065418 0.651569 0.593710
C 1.722566 -3.901249 0.245888
C -1.625236 -2.564113 -0.834400
C 0.753525 -3.268661 -0.482816
C -7.548131 2.108889 0.758657
C -0.660257 -3.209531 -0.111522
H 4.437986 0.921686 1.264506
H 2.760263 0.699679 0.735323
H 3.478480 -1.178579 -0.790996
H 5.159449 -0.994652 -0.242536
H 3.464864 1.211304 -1.661305
H 5.131160 1.480172 -1.095210
H 2.759378 -1.704668 1.575691
H 4.433782 -1.496801 2.134957
H 4.015770 3.651832 -1.361881
H 4.306023 3.388187 0.382541
H 3.973281 -3.891916 1.927593
H 5.161151 -3.443477 0.683528
H -0.496111 3.798264 -1.417016
H 3.506866 -5.004340 -0.244204
H 3.358887 -3.442724 -1.078965
H -0.235238 3.245653 1.509730
H -0.072609 4.840700 0.718892
H -5.663798 -1.398025 -0.728534
H -5.275971 -1.475986 1.003168
H -3.363486 -0.434923 -1.198546
H -2.970250 -0.526740 0.532259
H -4.969362 1.043262 1.045767
H -5.363517 1.117954 -0.685440
H -0.762237 1.284526 -1.623669
H -1.775430 1.918896 -0.291982
H -0.230388 1.086864 0.073903
H -3.267790 -3.040707 0.478873
H -3.710292 -2.941650 -1.242462
H -7.262986 0.087156 1.527888
H -7.656403 0.152516 -0.201353
H 1.433477 -4.405931 1.182886
H -1.332235 -2.051327 -1.765789
H 1.041143 -2.757790 -1.415637
H -7.391245 2.685778 -0.172507
H -8.624536 2.154541 1.006772
H -6.993064 2.621100 1.567341
H -0.949529 -3.722141 0.819733


