%chk=000229538.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229538

0 1
O 2.947167 1.532583 -0.021150
N -1.842241 0.873983 -0.060461
N 3.400905 -0.732514 0.056714
C -0.452563 -2.442698 0.163997
C -0.307754 -1.020911 0.070369
C -1.887552 -2.768428 0.181117
C -2.630465 -1.546221 0.097890
C -1.674126 -0.395408 0.024614
C 0.931170 -0.419210 0.034550
C 0.668152 -3.252739 0.221442
C 2.073618 -1.260135 0.093183
C -2.539983 -3.986771 0.259734
C -4.012282 -1.559737 0.094340
C 1.940211 -2.657132 0.185872
C -3.949832 -3.991306 0.255577
C -4.672122 -2.803977 0.174631
C -3.109201 1.528796 -0.107395
C 3.760930 0.635599 -0.006930
C -3.707188 1.978634 1.084366
C -3.690899 1.833024 -1.352159
C -5.468818 3.039081 -0.213409
C -4.880263 2.729851 1.023562
C -4.864125 2.585009 -1.396845
C 5.247297 0.837984 -0.039865
C -6.734293 3.832228 -0.269700
C 5.860003 1.517129 1.020807
C 6.001272 0.395967 -1.134306
C 7.239679 1.740417 0.990513
C 7.379370 0.627074 -1.159792
C 7.998087 1.295392 -0.097371
H 1.027208 0.673883 -0.035772
H 0.576298 -4.334941 0.293377
H -1.987321 -4.919982 0.323331
H -4.588727 -0.636069 0.031317
H 2.818854 -3.296388 0.232245
H -4.476073 -4.943662 0.317012
H -5.760664 -2.827365 0.172712
H 4.154354 -1.424466 0.100381
H -3.246799 1.751248 2.044351
H -3.217854 1.493266 -2.271975
H -5.339672 3.080533 1.946387
H -5.311118 2.822813 -2.360850
H -7.611449 3.169373 -0.247589
H -6.828541 4.525452 0.576735
H -6.805354 4.436178 -1.184148
H 5.260907 1.876706 1.859127
H 5.516054 -0.112723 -1.967389
H 7.721910 2.267544 1.813081
H 7.970826 0.290279 -2.010229
H 9.073009 1.473959 -0.120001


%chk=000229538-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229538

0 1
O 2.953003 1.583498 -0.061652
N -1.891048 0.786512 -0.221921
N 3.364143 -0.722543 0.111264
C -0.487835 -2.512743 0.243243
C -0.365308 -1.103992 0.064354
C -1.922635 -2.861991 0.225500
C -2.689831 -1.660788 0.059254
C -1.731308 -0.501413 -0.039654
C 0.876199 -0.453941 0.019771
C 0.671341 -3.298435 0.387301
C 2.046533 -1.254912 0.156973
C -2.558730 -4.114806 0.311139
C -4.093720 -1.726272 -0.050049
C 1.931445 -2.664587 0.342438
C -3.971334 -4.171527 0.214992
C -4.730258 -2.990603 0.026973
C -3.109272 1.501858 -0.184411
C 3.766090 0.610036 -0.024799
C -4.003022 1.444023 0.924085
C -3.376534 2.435937 -1.224135
C -5.441155 3.174323 -0.092455
C -5.139174 2.276860 0.965677
C -4.534644 3.236226 -1.184524
C 5.258016 0.822458 -0.105632
C -6.690600 4.036856 -0.059553
C 5.746374 2.108710 0.240771
C 6.175181 -0.171681 -0.540628
C 7.126459 2.389294 0.181824
C 7.557231 0.111946 -0.604263
C 8.037468 1.389946 -0.236057
H 0.948611 0.626633 -0.110062
H 0.612698 -4.382615 0.530222
H -1.977631 -5.034670 0.439602
H -4.689595 -0.821462 -0.193844
H 2.842316 -3.267807 0.451635
H -4.482537 -5.138669 0.279425
H -5.820536 -3.053811 -0.057131
H 4.112807 -1.407189 0.235531
H -3.779215 0.773253 1.761109
H -2.663643 2.515937 -2.050915
H -5.803009 2.230836 1.837987
H -4.729526 3.936255 -2.006268
H -7.545181 3.522394 -0.541908
H -6.993590 4.273152 0.975868
H -6.539103 4.990171 -0.596243
H 5.021098 2.870616 0.544229
H 5.824730 -1.155098 -0.879299
H 7.492736 3.384023 0.457746
H 8.255542 -0.657122 -0.952048
H 9.109956 1.608126 -0.285466


