%chk=000139009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139009

0 1
 O   -7.889600      -1.415900     -0.1055000    
 N   -8.988300      0.6278000      8.8999998E-03
 C    2.332200     -0.4528000      0.1467000    
 C    1.088500      0.4371000      6.8599999E-02
 C    3.613500      0.3850000      0.1271000    
 C  -0.2231000     -0.3550000      5.6600001E-02
 C    4.891400     -0.4592000      0.1743000    
 C   -1.466700      0.5358000      2.4000001E-03
 C    6.171800      0.3752000      8.1600003E-02
 C   -2.779200     -0.2552000      2.7000001E-03
 C    7.447400     -0.4750000      6.8400003E-02
 C   -4.061600      0.5821000     -2.8600000E-02
 C    8.723100      0.3548000     -9.8999999E-02
 C   -5.337700     -0.2592000     -9.0200000E-02
 C    9.997500     -0.4935000     -0.1009000    
 C   -6.584600      0.6211000     -2.9300001E-02
 C    11.27070      0.3266000     -0.2410000    
 C   -7.868600     -0.1894000     -4.7100000E-02
 C   -10.33680      0.1098000      4.1999999E-03
 H    2.299100      -1.054100       1.063100    
 H    2.336900      -1.150600     -0.6993000    
 H    1.139900       1.054500     -0.8368000    
 H    1.083700       1.126000      0.9224000    
 H    3.609700       1.077200      0.9782000    
 H    3.626300      0.9999000     -0.7814000    
 H  -0.2703000     -0.9841000      0.9540000    
 H  -0.2265000      -1.032600     -0.8060000    
 H    4.873700      -1.179600     -0.6529000    
 H    4.905400      -1.043100       1.102700    
 H   -1.425700       1.161200     -0.8977000    
 H   -1.460900       1.216800      0.8622000    
 H    6.211200       1.074500      0.9256000    
 H    6.138000      0.9818000     -0.8318000    
 H   -2.803100     -0.8975000      0.8922000    
 H   -2.779400     -0.9285000     -0.8639000    
 H    7.386100      -1.204300     -0.7487000    
 H    7.506200      -1.048300       1.001800    
 H   -4.030100       1.253000     -0.8959000    
 H   -4.086400       1.219700      0.8637000    
 H    8.782000       1.090600      0.7126000    
 H    8.666000      0.9211000      -1.036700    
 H   -5.347900     -0.9702000      0.7452000    
 H   -5.344600     -0.8542000      -1.011700    
 H    9.950000      -1.218100     -0.9224000    
 H    10.05070      -1.071000      0.8298000    
 H   -6.574600       1.222200      0.8879000    
 H   -6.599200       1.308500     -0.8836000    
 H    11.37080       1.036200      0.5864000    
 H    12.14760     -0.3283000     -0.2370000    
 H    11.27000      0.8905000      -1.179100    
 H   -8.868500       1.636500      2.5200000E-02
 H   -10.72670      0.1809000      -1.014100    
 H   -10.94450      0.7255000      0.6716000    
 H   -10.35740     -0.9315000      0.3346000    


%chk=000139009-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139009

0 1
O -8.072541 -0.961482 1.192534
N -9.011579 0.408604 -0.439614
C 2.326119 -0.375622 0.023018
C 1.062478 0.512297 0.077310
C 3.642477 0.434072 0.023588
C -0.256462 -0.293134 0.071134
C 4.908647 -0.450474 -0.026787
C -1.516719 0.599176 0.131564
C 6.223190 0.362202 -0.026692
C -2.838365 -0.201500 0.113608
C 7.490993 -0.520334 -0.075348
C -4.094835 0.695816 0.180735
C 8.804779 0.293614 -0.072626
C -5.413920 -0.106505 0.157667
C 10.073166 -0.588797 -0.123081
C -6.662870 0.803736 0.218624
C 11.380412 0.233167 -0.116825
C -7.959896 0.000168 0.371469
C -10.334150 -0.225362 -0.392009
H 2.322957 -1.070574 0.888816
H 2.288153 -1.012403 -0.885756
H 1.068770 1.210358 -0.786169
H 1.099678 1.146067 0.988266
H 3.678349 1.072909 0.931061
H 3.645857 1.127473 -0.843612
H -0.262268 -0.994018 0.932002
H -0.296594 -0.923366 -0.842073
H 4.873408 -1.089880 -0.933848
H 4.906211 -1.143146 0.840898
H -1.505326 1.306110 -0.724719
H -1.479219 1.223149 1.049214
H 6.257391 1.002298 0.879946
H 6.225653 1.054494 -0.894754
H -2.850596 -0.910860 0.966943
H -2.878619 -0.821942 -0.806120
H 7.458108 -1.159337 -0.982839
H 7.488039 -1.213544 0.791976
H -4.077235 1.411883 -0.668218
H -4.056057 1.309297 1.105668
H 8.839627 0.931581 0.835523
H 8.808660 0.987890 -0.939149
H -5.454645 -0.804474 1.014697
H -5.455381 -0.730104 -0.758152
H 10.038260 -1.224007 -1.031887
H 10.067302 -1.283813 0.741441
H -6.577720 1.463182 1.106365
H -6.703392 1.464376 -0.670547
H 11.455652 0.850118 0.798678
H 12.271754 -0.419796 -0.158617
H 11.421372 0.917637 -0.985330
H -8.855861 1.182186 -1.086844
H -10.598012 -0.684201 -1.363148
H -11.119957 0.501007 -0.112743
H -10.287843 -1.015491 0.374863


