%chk=000238643.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238643

0 1
O -2.159632 -2.253226 1.311532
O 4.997673 0.895510 -0.805427
O 4.669892 -1.225917 -0.548062
N -1.215135 0.966703 0.311155
N -1.859758 -0.515955 2.735454
N 4.275836 -0.069818 -0.597486
C -2.319411 -0.033890 0.314031
C -3.666973 0.700632 0.544883
C -2.481466 -0.760030 -1.043137
C -4.243768 0.980996 -0.850503
C -3.591069 -0.028065 -1.814648
C -2.083288 -1.046653 1.470143
C 0.117897 0.648824 0.007420
C 1.003414 1.733104 -0.252403
C 0.622837 -0.673878 0.040095
C 2.353201 1.495639 -0.444802
C 1.976730 -0.902940 -0.154162
C 2.848247 0.176768 -0.394267
H -3.557961 1.616661 1.147747
H -4.354818 0.046574 1.118036
H -2.756633 -1.823570 -0.869300
H -1.540184 -0.792998 -1.616726
H -4.031470 2.017174 -1.165868
H -5.343215 0.881473 -0.851566
H -4.337055 -0.749165 -2.194128
H -3.183693 0.484457 -2.703145
H -1.522233 1.902454 0.026929
H -1.634031 -1.143918 3.495077
H -1.607644 0.449035 2.872421
H 0.625497 2.752362 -0.293092
H -0.036127 -1.526907 0.212916
H 3.048406 2.321260 -0.639805
H 2.380935 -1.922894 -0.125912


%chk=000238643-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238643

0 1
O -2.896594 -2.185156 1.667734
O 4.949389 1.094147 -0.975877
O 4.684400 -1.161317 -0.715061
N -1.300902 0.878806 0.368943
N -1.551431 -0.596023 2.698346
N 4.220944 0.049549 -0.728980
C -2.392516 -0.128245 0.403323
C -3.750205 0.642258 0.487197
C -2.550310 -0.911461 -0.935996
C -4.023244 1.110848 -0.964994
C -3.418757 -0.011300 -1.870038
C -2.284809 -1.077048 1.635915
C 0.043133 0.635464 0.080109
C 0.900052 1.747972 -0.199912
C 0.609022 -0.679289 0.090449
C 2.261714 1.562727 -0.462049
C 1.972911 -0.866049 -0.175203
C 2.795985 0.250580 -0.451685
H -3.726296 1.461474 1.229891
H -4.522304 -0.079434 0.806807
H -3.061340 -1.860606 -0.700778
H -1.574301 -1.158233 -1.385542
H -3.531494 2.081966 -1.168826
H -5.102292 1.260988 -1.141694
H -4.215404 -0.610659 -2.344611
H -2.814762 0.424383 -2.685091
H -1.610010 1.847738 0.257334
H -1.481952 -1.160965 3.544035
H -1.042168 0.283623 2.623287
H 0.479645 2.761086 -0.212277
H -0.012143 -1.548681 0.318733
H 2.923058 2.405380 -0.680058
H 2.417981 -1.864720 -0.170032


