%chk=000198689.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198689

0 1
O 2.600588 -0.488600 -0.863948
O 3.599957 2.462012 0.377493
O 3.579861 -1.530887 2.113421
O -1.413458 0.856038 3.004659
N 0.297338 -0.267113 -1.330290
N -1.497300 -1.647279 -1.802104
N -0.363996 0.454492 0.958363
N -2.546772 -0.533845 1.612016
N -3.799874 -2.015455 0.184785
C 1.640835 0.344129 -1.519970
C 2.490352 1.552749 0.425383
C 1.746591 1.743654 -0.906639
C 3.023447 0.096036 0.405593
C 2.495796 -0.795739 1.534911
C -0.530320 -0.227453 -0.199676
C -0.345054 -1.178413 -2.260303
C -1.658497 -1.080065 -0.517019
C -2.697245 -1.231729 0.423764
C -1.352559 0.344164 1.913578
H 1.901551 0.276623 -2.602695
H 0.765667 2.231593 -0.751227
H 2.330693 2.425288 -1.561191
H 1.857089 1.780048 1.309649
H 4.136231 0.068482 0.349678
H 1.716997 -1.489013 1.167702
H 2.095191 -0.219865 2.392801
H 0.112251 -1.405942 -3.213844
H 3.960211 2.615515 1.273824
H 3.901149 -2.212115 1.486637
H -3.256878 -0.587290 2.348570
H -3.867485 -2.521123 -0.693399
H -4.534358 -2.147797 0.857180


%chk=000198689-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198689

0 1
O 2.653029 -0.578452 -0.727881
O 3.412383 2.676730 0.574788
O 3.519209 -2.003201 1.566947
O -1.530867 0.946924 2.993266
N 0.287060 -0.372702 -1.267324
N -1.506230 -1.718381 -1.800881
N -0.435498 0.443203 0.955008
N -2.625664 -0.496742 1.522724
N -3.861062 -2.004787 0.113155
C 1.636035 0.212844 -1.432794
C 2.455837 1.563783 0.464238
C 1.786363 1.659716 -0.924967
C 3.165823 0.181956 0.465764
C 2.901094 -0.680821 1.704817
C -0.596950 -0.273951 -0.177030
C -0.313016 -1.259285 -2.193625
C -1.696789 -1.110127 -0.544065
C -2.766233 -1.225617 0.363115
C -1.468772 0.364039 1.876512
H 1.858293 0.119695 -2.510407
H 0.828363 2.199144 -0.887687
H 2.481904 2.203867 -1.587323
H 1.687078 1.607103 1.256706
H 4.250780 0.313767 0.300384
H 1.808200 -0.758210 1.877732
H 3.372142 -0.225957 2.594157
H 0.180015 -1.521037 -3.128008
H 3.543082 2.903411 1.528448
H 3.220263 -2.367897 0.693430
H -3.343608 -0.506772 2.253696
H -3.878941 -2.515118 -0.769735
H -4.635324 -2.106025 0.764541


