%chk=000298939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298939

0 1
O 0.624587 -0.625753 -2.042330
O -3.215230 -1.019283 2.662191
O -5.067952 -1.214302 1.548390
O -6.158656 0.752229 -1.091903
O -5.673691 1.626004 0.839177
O 7.301972 -0.705648 -0.511715
O 7.227565 0.267100 1.419526
N 1.051392 0.290152 0.040359
N -3.918322 -0.857012 1.684209
N -5.408882 1.031683 -0.183571
N 6.703022 -0.176945 0.410496
C -1.243802 0.154823 -0.766839
C -3.266867 -0.176759 0.517480
C -1.900001 -0.422646 0.324677
C 2.471189 0.150312 0.086043
C -3.959867 0.654814 -0.373385
C 0.215189 -0.120266 -1.022638
C -1.944738 0.952526 -1.680092
C -3.305630 1.207259 -1.479507
C 3.205108 -0.453283 -0.952582
C 3.128340 0.647522 1.237028
C 5.238318 -0.064533 0.298949
C 4.587725 -0.559850 -0.843963
C 4.509157 0.538218 1.339744
H -1.361426 -1.070661 1.030126
H -1.431646 1.370423 -2.554368
H 0.621158 0.746171 0.852941
H -3.857808 1.829770 -2.193999
H 2.698125 -0.840168 -1.846061
H 2.566778 1.114470 2.045128
H 5.176691 -1.027668 -1.643559
H 5.039201 0.916399 2.223045


%chk=000298939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298939

0 1
O 0.651191 0.049579 -2.286566
O -3.012569 -0.273868 2.956216
O -4.944672 -0.915228 1.913608
O -6.275305 0.437639 -1.200472
O -5.830165 1.517806 0.768800
O 7.422901 -0.502590 -0.600946
O 7.243751 -0.149849 1.647721
N 1.069456 0.223638 0.020993
N -3.774387 -0.386855 1.921617
N -5.488764 0.832346 -0.262817
N 6.732970 -0.273930 0.466781
C -1.244867 0.286013 -0.806843
C -3.217934 0.083581 0.622315
C -1.828142 -0.036770 0.441565
C 2.482245 0.095959 0.069337
C -4.038486 0.539135 -0.434591
C 0.234260 0.168554 -1.096970
C -2.081794 0.690901 -1.877961
C -3.470098 0.824799 -1.691931
C 3.280663 -0.151861 -1.082817
C 3.098138 0.222836 1.347625
C 5.265264 -0.145579 0.330561
C 4.674429 -0.273521 -0.944926
C 4.488482 0.103500 1.484361
H -1.249850 -0.432715 1.282775
H -1.620415 0.894015 -2.848881
H 0.624417 0.423230 0.920324
H -4.121300 1.157610 -2.504946
H 2.805304 -0.239731 -2.060149
H 2.484080 0.414213 2.236245
H 5.311394 -0.464919 -1.812412
H 4.980802 0.197160 2.455380


