%chk=000233618.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233618

0 1
O 0.650918 0.689914 2.766844
O -6.163843 -0.384713 -0.240348
N -0.628146 -0.115265 -0.505238
N -3.050665 -0.020858 -0.093403
N -1.334111 0.277878 1.653866
C 0.617106 0.155756 0.287576
C 0.080440 0.425145 1.739691
C -1.687071 -0.009223 0.278464
C 1.538937 -1.054934 0.253149
C 1.355319 1.373233 -0.249969
C -3.965364 -0.843752 0.754958
C -3.333721 -0.118371 -1.561567
C 2.400624 -1.323023 1.326823
C 1.220436 1.741928 -1.595807
C 1.560700 -1.882143 -0.879376
C 2.208432 2.104734 0.590164
C -5.315584 -0.113341 0.879778
C -2.998968 -1.465496 -2.192882
C 3.264140 -2.419906 1.272134
C 1.923509 2.843759 -2.091958
C 2.426535 -2.978245 -0.927737
C 2.908268 3.204351 0.088424
C 3.277985 -3.250605 0.147183
C 2.766576 3.577292 -1.252283
H -1.984007 0.519679 2.387683
H -3.533814 -1.012613 1.764279
H -4.118730 -1.856808 0.315972
H -4.421578 0.114398 -1.684423
H -2.758969 0.694701 -2.063730
H 2.405338 -0.677721 2.209213
H 0.566778 1.168940 -2.256879
H 0.901861 -1.668161 -1.723427
H 2.329390 1.819855 1.638524
H -5.201266 0.990246 0.833587
H -5.837020 -0.396032 1.811085
H -1.926302 -1.696211 -2.099241
H -3.556363 -2.291642 -1.741747
H -3.230802 -1.459381 -3.264700
H 3.929638 -2.624646 2.109144
H 1.813799 3.128062 -3.136888
H 2.438916 -3.618424 -1.807885
H 3.566933 3.770425 0.744934
H 3.951920 -4.103852 0.107379
H 3.312877 4.434482 -1.640454
H -6.407849 -1.330613 -0.273811


%chk=000233618-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233618

0 1
O 0.508056 0.539543 2.802914
O -5.682728 0.987860 -0.307450
N -0.630015 -0.258932 -0.589362
N -2.985087 -0.544769 -0.238121
N -1.423405 0.007017 1.555076
C 0.545708 0.075786 0.275933
C -0.050537 0.247266 1.716676
C -1.700832 -0.279663 0.186876
C 1.579977 -1.080981 0.229649
C 1.213504 1.399169 -0.184269
C -4.113984 -0.700964 0.688857
C -3.200024 -0.787039 -1.687572
C 2.442125 -1.363412 1.317699
C 0.915399 1.931923 -1.461790
C 1.699335 -1.835606 -0.964538
C 2.157812 2.060280 0.641240
C -4.953192 0.581883 0.901807
C -3.037425 -2.272079 -2.074083
C 3.408699 -2.389714 1.209904
C 1.553028 3.111123 -1.909272
C 2.669408 -2.855690 -1.070121
C 2.788910 3.241293 0.193064
C 3.529428 -3.137660 0.017068
C 2.492372 3.770840 -1.084555
H -2.086259 0.097851 2.323688
H -3.751819 -1.062345 1.671928
H -4.771777 -1.504813 0.301629
H -4.204632 -0.406216 -1.940613
H -2.458742 -0.179451 -2.233038
H 2.353469 -0.793451 2.248284
H 0.182647 1.413772 -2.086982
H 1.019814 -1.616879 -1.793398
H 2.386574 1.662905 1.635206
H -4.296022 1.437270 1.129486
H -5.649636 0.426979 1.755221
H -2.013459 -2.614592 -1.846979
H -3.752919 -2.918128 -1.531240
H -3.216229 -2.404940 -3.156998
H 4.067191 -2.602704 2.059899
H 1.315524 3.513691 -2.900873
H 2.754433 -3.430541 -1.999684
H 3.513338 3.746893 0.841796
H 4.282427 -3.929923 -0.064655
H 2.986606 4.685557 -1.431482
H -6.423859 0.350392 -0.469722


