%chk=000095721.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095721

0 1
 O    2.429500      0.7428000     -2.1000000E-02
 O   -5.629900     -4.3000001E-03  1.1800000E-02
 O   -5.008400      -2.211700     -1.7400000E-02
 N   -3.052100      0.8441000      7.1999999E-03
 C   -1.103200     -0.2413000     -1.6700000E-02
 C   -1.687600       1.026900      2.2000000E-03
 C   -3.349700     -0.4922000     -8.0000004E-03
 C   -2.163900      -1.189900     -2.2800000E-02
 C   0.3023000     -0.3402000     -2.5300000E-02
 C    1.069300      0.8304000     -1.5000000E-02
 C  -0.9337000       2.205700      1.3000000E-02
 C   0.4587000       2.082800      3.8000001E-03
 C    2.993700     -0.5666000     -4.0500000E-02
 C   -4.681900      -1.008000     -5.9000002E-03
 C    4.489800     -0.4556000     -1.2200000E-02
 C    5.196900     -0.3773000      -1.206900    
 C    5.155600     -0.4316000       1.208200    
 C   -7.006100     -0.4006000      1.6400000E-02
 C    6.587700     -0.2740000      -1.180800    
 C    6.546400     -0.3282000       1.234200    
 C    7.262400     -0.2493000      3.9600000E-02
 C   -7.876000      0.8382000      3.6300000E-02
 H   -2.063600      -2.267200     -3.6400001E-02
 H   -3.733200       1.591000      2.0300001E-02
 H   0.7156000      -1.341100     -4.2300001E-02
 H   -1.408100       3.181100      2.7899999E-02
 H    1.068500       2.983300      1.2300000E-02
 H    2.699200      -1.104500     -0.9514000    
 H    2.676400      -1.143900      0.8383000    
 H    4.681800     -0.3929000      -2.163400    
 H    4.608300     -0.4897000       2.145000    
 H   -7.217600     -0.9888000     -0.8832000    
 H   -7.205600      -1.009300      0.9051000    
 H    7.145200     -0.2118000      -2.110900    
 H    7.072000     -0.3081000       2.184400    
 H    8.345300     -0.1684000      5.9799999E-02
 H   -8.936500      0.5715000      4.0300000E-02
 H   -7.660600       1.445900      0.9214000    
 H   -7.672300       1.466000     -0.8374000    


%chk=000095721-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095721

0 1
O 2.449950 0.604277 0.003586
O -5.730278 0.060952 0.007248
O -5.229012 -2.233843 -0.034861
N -3.130316 0.794251 0.017971
C -1.175643 -0.396430 -0.009064
C -1.744310 0.930478 0.017508
C -3.457195 -0.571182 -0.007312
C -2.273025 -1.325937 -0.024531
C 0.240446 -0.560207 -0.015203
C 1.040347 0.597098 0.005735
C -0.929493 2.088493 0.038088
C 0.459813 1.908486 0.032005
C 3.124042 -0.716839 -0.018890
C -4.842690 -1.039127 -0.012864
C 4.615344 -0.479270 -0.007715
C 5.330596 -0.339663 -1.223185
C 5.317865 -0.381857 1.219274
C -7.182390 -0.281214 0.002569
C 6.723493 -0.103997 -1.214114
C 6.710664 -0.146258 1.232967
C 7.416677 -0.007624 0.015103
C -7.950411 1.036523 0.017211
H -2.231872 -2.413025 -0.045294
H -3.830566 1.533566 0.033711
H 0.671895 -1.564382 -0.036077
H -1.359240 3.095301 0.058357
H 1.142047 2.763766 0.047384
H 2.810604 -1.263605 -0.931990
H 2.803428 -1.297998 0.870152
H 4.793078 -0.409566 -2.176594
H 4.770436 -0.484571 2.164031
H -7.394199 -0.884458 -0.898833
H -7.395072 -0.904914 0.889736
H 7.266384 0.002398 -2.159810
H 7.243660 -0.072674 2.187378
H 8.497556 0.172588 0.023866
H -9.037128 0.834967 0.013714
H -7.711465 1.624053 0.920404
H -7.709418 1.644646 -0.871665


