%chk=000164617.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164617

0 1
 O   -5.348200     -0.5251000      0.8917000    
 O   -2.560600       2.784000     -0.8117000    
 O   -3.799200       3.334700       1.065000    
 O    6.563800       1.515000      0.2065000    
 N  -0.7843000      -2.112500      4.0300000E-02
 N    1.810900      0.5438000     -0.4176000    
 C   -3.073600      -1.298400      0.3366000    
 C   -2.703400      7.8800000E-02 -0.2545000    
 C  -0.3574000     -0.8135000     -0.5523000    
 C   -1.210300      0.3362000      1.7600000E-02
 C   -2.192700      -2.401700     -0.2640000    
 C   -4.588600      -1.553900      0.2232000    
 C    1.108000     -0.6221000     -0.3046000    
 C   0.1004000      -3.222400     -0.3719000    
 C    1.993400      -1.631600      1.0800000E-02
 C    1.531000      -3.036300      0.1877000    
 C   -3.661300       1.099300      0.2893000    
 C    3.286000      -1.052800      0.1257000    
 C   -5.124400      -1.715200      -1.198900    
 C   -4.845600      0.7497000      0.8108000    
 C    3.143500      0.3121000     -0.1475000    
 C   -3.367100       2.532500      0.2510000    
 C    4.567600      -1.552100      0.4327000    
 C    4.224800       1.200500     -0.1293000    
 C    5.656500     -0.6734000      0.4556000    
 C    5.485600      0.6812000      0.1783000    
 C   -2.181200       4.153200     -0.9847000    
 C    6.326300       2.890100     -8.5699998E-02
 H   -2.856800      -1.261200       1.417700    
 H   -2.838100      5.3100001E-02  -1.345200    
 H  -0.5001000     -0.8507000      -1.642400    
 H   -1.034800      0.4446000       1.097200    
 H  -0.8765000       1.269800     -0.4426000    
 H   -2.479000      -3.359700      0.1869000    
 H   -2.343700      -2.486800      -1.346900    
 H   -4.815700      -2.482300      0.7619000    
 H   0.1322000      -3.294500      -1.467400    
 H  -0.2831000      -4.178800      4.1999999E-03
 H    2.213200      -3.731500     -0.3139000    
 H    1.538000      -3.276000       1.258300    
 H    1.421600       1.443900     -0.6617000    
 H   -4.981200     -0.8089000      -1.795300    
 H   -4.652200      -2.554400      -1.716700    
 H   -6.204900      -1.896400      -1.172700    
 H   -5.564000       1.442300       1.230000    
 H    4.716500      -2.605900      0.6500000    
 H    4.029100       2.241500     -0.3541000    
 H    6.644600      -1.060300      0.6926000    
 H   -3.067200       4.774100      -1.147400    
 H   -1.538900       4.218700      -1.866900    
 H   -1.618500       4.502400     -0.1137000    
 H    5.665900       3.352100      0.6561000    
 H    5.963200       3.028300      -1.109800    
 H    7.290000       3.405500     -1.7899999E-02


%chk=000164617-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000164617

0 1
O -5.314415 -0.584267 1.058997
O -2.493153 2.878906 -0.774431
O -4.188461 3.446682 0.721206
O 6.698886 1.473063 0.242154
N -0.777487 -2.158778 -0.033684
N 1.814277 0.547679 -0.464781
C -3.076687 -1.344603 0.323748
C -2.723830 0.048655 -0.270086
C -0.365358 -0.832724 -0.584349
C -1.222650 0.302963 0.032005
C -2.200159 -2.437656 -0.322838
C -4.585251 -1.639393 0.259355
C 1.112085 -0.667051 -0.340484
C 0.135675 -3.262685 -0.432802
C 1.997541 -1.675995 0.020904
C 1.526700 -3.093906 0.223221
C -3.685402 1.089207 0.291941
C 3.311101 -1.073246 0.140385
C -5.213397 -1.700112 -1.140408
C -4.842030 0.704044 0.932728
C 3.165521 0.324870 -0.171314
C -3.511206 2.549281 0.151735
C 4.603743 -1.559979 0.474301
C 4.248887 1.234068 -0.158158
C 5.692462 -0.674863 0.493255
C 5.515558 0.707872 0.181080
C -2.316089 4.330582 -1.006269
C 6.592211 2.897768 -0.060739
H -2.805392 -1.320228 1.398953
H -2.827825 0.009692 -1.377513
H -0.556544 -0.813995 -1.696893
H -1.051780 0.337953 1.123818
H -0.928676 1.274738 -0.399425
H -2.452095 -3.428301 0.102396
H -2.402967 -2.482989 -1.426339
H -4.818028 -2.563033 0.818979
H 0.256271 -3.309809 -1.545541
H -0.322216 -4.215091 -0.107266
H 2.232624 -3.821095 -0.224969
H 1.453998 -3.332648 1.302834
H 1.395638 1.447028 -0.690311
H -5.040065 -0.769174 -1.706897
H -4.784726 -2.541762 -1.713593
H -6.302159 -1.858177 -1.059274
H -5.513876 1.432197 1.397320
H 4.756690 -2.616868 0.719215
H 4.106484 2.291689 -0.398884
H 6.701069 -1.014541 0.746926
H -3.254493 4.778636 -1.373976
H -1.521859 4.400751 -1.763932
H -2.022696 4.838422 -0.071797
H 5.915589 3.413797 0.649871
H 6.234942 3.066348 -1.096673
H 7.612521 3.295076 0.046699


