%chk=000195988.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195988

1 1
O 4.549476 -0.248017 -0.318697
O 0.826054 -0.608809 2.243577
N 1.301442 1.042452 0.699436
N -4.935059 -0.379223 -0.486580
N 2.366265 -0.619420 -1.274309
N -5.650644 0.696400 -0.861191
N -6.343256 1.570518 -0.950505
C -0.952779 0.076158 0.806995
C 2.757642 0.790042 0.725101
C 0.474212 0.094177 1.322860
C -1.195293 -0.421888 -0.484217
C -2.003312 0.479648 1.638434
C -3.555088 -0.134403 -0.098880
C -2.502884 -0.524500 -0.951840
C -3.321831 0.388333 1.186198
C 3.189118 -0.120089 -0.419800
C 5.270319 -1.108643 -1.266638
C 6.705336 -1.000791 -0.801088
H 3.057045 0.321506 1.701926
H 3.303852 1.763345 0.664356
H 0.979624 1.475901 -0.170847
H -0.347352 -0.736439 -1.116674
H -1.791196 0.852330 2.649705
H -2.690664 -0.913620 -1.954507
H -4.147094 0.685846 1.838553
H 4.865926 -2.131489 -1.178244
H 5.115503 -0.705008 -2.281538
H 7.374284 -1.612009 -1.421523
H 7.068902 0.036600 -0.838110
H 6.819657 -1.333850 0.241469
H -5.065205 -1.211820 -1.124356
H 2.695099 -1.225436 -2.018765


%chk=000195988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195988

1 1
O 4.833407 -0.460365 -0.166014
O 0.448454 0.557216 2.420172
N 1.257450 -0.084256 0.345322
N -5.215812 0.009266 -0.653292
N 2.867228 -0.662161 -1.597520
N -6.183348 0.729575 -0.156675
N -6.850880 1.441181 0.509315
C -1.168800 0.164862 0.664247
C 2.663576 -0.084796 0.757560
C 0.245768 0.223641 1.200312
C -1.532961 -0.572541 -0.488867
C -2.169086 0.853130 1.397345
C -3.842619 0.092891 -0.175245
C -2.873861 -0.608820 -0.925188
C -3.513457 0.827579 0.984671
C 3.486639 -0.439424 -0.472917
C 5.803994 -0.787449 -1.259689
C 7.196427 -0.727476 -0.644287
H 2.845981 -0.817237 1.565768
H 2.971669 0.901765 1.151188
H 1.159386 -0.279950 -0.669515
H -0.789850 -1.144957 -1.053329
H -1.871559 1.393089 2.301099
H -3.141887 -1.179090 -1.821893
H -4.266557 1.364589 1.572983
H 5.566341 -1.798244 -1.645255
H 5.679259 -0.043127 -2.070439
H 7.953414 -0.965013 -1.412846
H 7.408840 0.279264 -0.248270
H 7.295821 -1.456394 0.176888
H -5.467168 -0.589989 -1.450424
H 3.422287 -0.898960 -2.434902


