%chk=000230731.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230731

0 1
O 0.126389 3.134502 -0.530127
N -0.206763 2.144373 1.495963
C 0.119624 0.698913 -0.496150
C -1.136383 -0.113343 -0.189245
C 1.210475 -0.114695 0.196370
C -0.804604 -1.264697 0.587860
C 0.646188 -1.265532 0.826243
C 0.368113 0.850048 -2.007743
C 0.017830 2.111749 0.128035
C -2.444708 0.136437 -0.562387
C 2.569693 0.133540 0.261520
C -1.790523 -2.156310 0.982874
C 1.452872 -2.158176 1.515804
C 0.488409 -0.451058 -2.741243
C -3.441435 -0.772270 -0.156928
C 3.383255 -0.776208 0.964432
C -3.120044 -1.897267 0.601310
C 2.834876 -1.900696 1.579769
C -0.324257 3.428055 2.215316
C 0.706556 -0.519852 -4.053402
H 1.284143 1.464243 -2.163270
H -0.449808 1.464412 -2.448324
H -2.704266 1.010819 -1.156948
H 3.006836 1.007502 -0.218598
H -1.547564 -3.037864 1.570829
H 1.033564 -3.039349 1.994941
H 0.385529 -1.351029 -2.130390
H -4.475934 -0.589039 -0.445122
H 4.455787 -0.594199 1.022433
H -0.297794 1.298459 2.047872
H -3.904852 -2.589652 0.903278
H 3.481018 -2.593904 2.116862
H -1.313115 3.517767 2.694229
H -0.208435 4.278599 1.512185
H 0.459668 3.516943 2.985254
H 0.794163 -1.453572 -4.588198
H 0.814295 0.342753 -4.693703


%chk=000230731-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230731

0 1
O 1.204366 2.967770 -0.048660
N -0.616205 2.352568 1.264425
C 0.264940 0.714519 -0.408203
C -1.004643 -0.098777 -0.139371
C 1.342994 -0.166274 0.254634
C -0.696742 -1.299882 0.568949
C 0.756533 -1.337424 0.818325
C 0.528225 0.939394 -1.940230
C 0.316020 2.120599 0.276835
C -2.328162 0.181317 -0.526386
C 2.725052 0.066654 0.349422
C -1.718124 -2.215414 0.905026
C 1.561273 -2.294078 1.474829
C 0.682169 -0.336624 -2.734934
C -3.353501 -0.738552 -0.190366
C 3.531934 -0.894606 1.009013
C -3.048816 -1.925545 0.522151
C 2.954444 -2.064594 1.564169
C -0.637104 3.590611 2.052127
C 0.004615 -0.625791 -3.873383
H 1.447540 1.554075 -2.004343
H -0.292166 1.553021 -2.359178
H -2.569311 1.092014 -1.086705
H 3.162449 0.981887 -0.063448
H -1.489786 -3.139306 1.448207
H 1.121834 -3.199308 1.908871
H 1.422493 -1.055928 -2.353677
H -4.388256 -0.534168 -0.486961
H 4.612057 -0.731195 1.093814
H -1.307961 1.623682 1.452957
H -3.852608 -2.626932 0.772640
H 3.594763 -2.796288 2.069628
H -1.598898 4.123013 1.934516
H 0.176592 4.235175 1.683626
H -0.471900 3.381940 3.125281
H 0.178347 -1.557069 -4.424164
H -0.745657 0.059920 -4.287835


