%chk=000199255.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199255

1 1
O -1.786771 0.091196 1.069076
O -3.563838 -1.407208 -0.840517
O -2.203374 2.827595 0.661797
N 3.280397 -0.348856 0.112394
C 0.060698 -1.270694 0.184016
C -1.130563 -1.248331 1.213234
C 1.336008 -1.913618 0.780324
C 0.216681 0.213137 -0.095221
C 2.394775 -0.911196 1.240393
C 2.477421 0.119322 -1.120408
C -2.229444 -2.271841 1.014882
C 1.270964 0.901294 -0.711535
C -0.292716 -1.955378 -1.116585
C -0.901351 0.896148 0.385171
C -2.666137 -2.443318 -0.448237
C -1.492891 -2.460210 -1.400751
C 4.266094 -1.409469 -0.329752
C 4.050043 0.832689 0.668896
C 1.140794 2.279549 -0.903723
C -1.050330 2.295121 0.178360
C -0.009063 2.964967 -0.479415
C -2.450915 4.241772 0.424579
H -0.763313 -1.241808 2.262111
H 1.765239 -2.644620 0.063323
H 1.055151 -2.548349 1.652529
H 1.896288 -0.053327 1.760247
H 3.062167 -1.386434 1.997155
H 2.158921 -0.780432 -1.706394
H 3.149188 0.705994 -1.788333
H -3.124323 -1.964240 1.610051
H -1.918559 -3.249895 1.433539
H 0.512438 -1.971358 -1.851922
H -3.295384 -3.361392 -0.568949
H -1.715910 -2.900649 -2.376871
H 4.941777 -1.713482 0.491875
H 3.748574 -2.323130 -0.679526
H 4.907311 -1.056147 -1.159167
H 4.603227 0.573114 1.589432
H 4.788234 1.221220 -0.056741
H 3.365369 1.671087 0.913448
H 1.930088 2.845690 -1.399648
H -0.082886 4.036655 -0.667171
H -3.210661 -0.519020 -0.581299
H -2.501961 4.447024 -0.648555
H -1.701098 4.851809 0.934770
H -3.440857 4.361918 0.893021


%chk=000199255-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199255

1 1
O -1.864264 0.090315 0.875783
O -3.859136 -1.613717 -0.491436
O -2.267662 2.887531 0.485197
N 3.346303 -0.376273 0.173849
C 0.033233 -1.249218 0.088798
C -1.109793 -1.206722 1.163593
C 1.323253 -1.981741 0.596745
C 0.233970 0.254887 -0.141125
C 2.399860 -1.062322 1.204920
C 2.558731 0.167238 -1.083965
C -2.101781 -2.363352 1.125726
C 1.331494 0.942148 -0.705951
C -0.477818 -1.860268 -1.218214
C -0.915819 0.934360 0.276647
C -2.735965 -2.546195 -0.269014
C -1.709118 -2.410110 -1.380260
C 4.395052 -1.370757 -0.309703
C 4.037057 0.790675 0.870669
C 1.209281 2.343638 -0.881200
C -1.070209 2.332374 0.079126
C 0.023442 3.023892 -0.513571
C -2.478667 4.331151 0.266691
H -0.675991 -1.074085 2.176472
H 1.745920 -2.600347 -0.217151
H 1.042156 -2.709161 1.382497
H 1.932988 -0.246022 1.780138
H 3.072574 -1.622742 1.878206
H 2.325893 -0.735017 -1.674675
H 3.290841 0.774284 -1.642602
H -2.901588 -2.196591 1.868441
H -1.567616 -3.288323 1.420154
H 0.194691 -1.773049 -2.084293
H -3.217235 -3.537178 -0.327343
H -2.025718 -2.755425 -2.371953
H 5.052827 -1.644228 0.529857
H 3.896510 -2.271078 -0.698559
H 4.990000 -0.905451 -1.110805
H 4.467956 0.441243 1.821884
H 4.836773 1.178339 0.220385
H 3.291750 1.578159 1.058664
H 2.031755 2.915589 -1.326264
H -0.043728 4.102063 -0.682660
H -3.538269 -0.694897 -0.282560
H -2.427455 4.576969 -0.809926
H -1.740894 4.927490 0.834664
H -3.490081 4.524823 0.648030


