%chk=000100474.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000100474

0 1
O 0.293966 1.540437 1.640438
O 5.952567 0.205626 -0.978757
N 1.669307 -1.730317 -0.384454
C -2.534185 -0.137510 0.096007
C -3.986023 -0.089037 0.588306
C -1.571987 -0.526350 1.230089
C -4.948287 0.297313 -0.543128
C -0.154330 -0.611526 0.742485
C -6.401398 0.343349 -0.052283
C 0.330614 -1.696989 0.079320
C 0.696132 0.569131 1.019739
C -7.365223 0.730192 -1.182914
C 2.077097 0.497626 0.503039
C 2.541096 -0.646503 -0.187666
C -0.450216 -2.931124 -0.236446
C -8.813268 0.777302 -0.699901
C 2.959677 1.579297 0.697862
C 3.860305 -0.715754 -0.678073
C 4.696407 0.384976 -0.459009
C 4.263504 1.541431 0.226841
C 6.920632 1.273636 -0.819912
H -2.438989 -0.846928 -0.746178
H -2.237864 0.851838 -0.307633
H -4.074104 0.637905 1.419961
H -4.276747 -1.068547 1.012650
H -1.631620 0.237765 2.041199
H -1.883079 -1.481748 1.695745
H -4.660402 1.282778 -0.958607
H -4.855401 -0.421083 -1.379666
H -6.690529 -0.638868 0.367613
H -6.494420 1.065006 0.782238
H -7.273354 0.009943 -2.019055
H -7.078581 1.715607 -1.599901
H 2.004517 -2.553052 -0.879433
H -0.756505 -2.952425 -1.293568
H -1.379720 -2.981541 0.357701
H 0.103689 -3.855794 -0.024089
H -8.946124 1.510466 0.103932
H -9.493147 1.055252 -1.512789
H -9.141956 -0.194135 -0.313911
H 2.584598 2.458499 1.236533
H 4.238487 -1.581547 -1.210190
H 4.926517 2.383198 0.386441
H 7.119301 1.450271 0.241161
H 6.574149 2.177889 -1.328630
H 7.801696 0.851747 -1.321411


%chk=000100474-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100474

0 1
O 0.126306 1.542041 1.439272
O 6.055607 0.279280 -0.926893
N 1.777761 -1.837513 -0.280800
C -2.560581 -0.255705 0.067043
C -4.022479 -0.154747 0.554320
C -1.587118 -0.715246 1.187692
C -4.997873 0.328425 -0.542593
C -0.141239 -0.754220 0.733994
C -6.463279 0.422197 -0.060645
C 0.443780 -1.867677 0.139056
C 0.639411 0.488843 0.911396
C -7.436948 0.920140 -1.153259
C 2.046403 0.462050 0.443445
C 2.599137 -0.714068 -0.150527
C -0.263167 -3.176157 -0.146164
C -8.899030 1.006958 -0.664328
C 2.880017 1.601245 0.571585
C 3.942221 -0.743410 -0.597358
C 4.742422 0.406751 -0.453952
C 4.213003 1.594052 0.135020
C 6.939598 1.443494 -0.813139
H -2.501815 -0.957626 -0.791161
H -2.223648 0.731509 -0.304490
H -4.068349 0.540794 1.417805
H -4.356772 -1.144241 0.933206
H -1.652236 0.017079 2.013635
H -1.918640 -1.694563 1.584485
H -4.668250 1.322551 -0.909859
H -4.942082 -0.358334 -1.413687
H -6.797067 -0.573748 0.299773
H -6.518466 1.102727 0.814841
H -7.377772 0.242668 -2.029872
H -7.104214 1.916715 -1.508822
H 2.171515 -2.678920 -0.704915
H -0.494553 -3.274463 -1.224467
H -1.212583 -3.243090 0.403043
H 0.360359 -4.043371 0.144875
H -8.988591 1.701026 0.192814
H -9.574615 1.366637 -1.462393
H -9.264891 0.016879 -0.331904
H 2.436071 2.491898 1.028620
H 4.379187 -1.637431 -1.054816
H 4.829826 2.489647 0.248570
H 7.085925 1.736173 0.244223
H 6.547061 2.304195 -1.387741
H 7.897443 1.116259 -1.243233


