%chk=000186562.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186562

0 1
O 1.376574 -2.432389 -1.234734
O 3.259686 -2.454310 0.679438
C -2.582418 -0.644059 0.039766
C -0.191731 -1.106655 0.072530
C -2.309928 0.737680 0.056753
C 0.937148 -2.104885 0.093888
C 0.089815 0.276612 0.064056
C -3.987511 -1.177704 -0.017456
C -3.411455 1.762024 0.095839
C -5.042203 -0.137906 0.381400
C -4.774633 1.196562 -0.322077
C 2.164682 -1.559871 0.874728
C -1.513979 -1.553495 0.049389
C -0.979356 1.181884 0.068269
C 1.494320 0.736283 0.057631
C 2.519880 -0.154697 0.440513
C 1.842424 2.037858 -0.337188
C 3.854898 0.258838 0.441291
C 3.178921 2.446026 -0.338861
C 4.186510 1.559313 0.051577
H 0.635711 -3.102174 0.492553
H -4.185343 -1.533254 -1.052396
H -4.086436 -2.072154 0.630888
H -3.475665 2.166795 1.129620
H -3.156531 2.626946 -0.549777
H -6.052740 -0.509851 0.129913
H -5.031757 0.005991 1.479571
H -5.573358 1.923672 -0.085279
H -4.802292 1.055581 -1.420392
H 1.997400 -1.594577 1.978219
H -1.718400 -2.624839 0.034576
H -0.775181 2.252848 0.086616
H 1.067407 2.737206 -0.649872
H 4.630807 -0.448489 0.745615
H 1.456468 -1.617082 -1.780480
H 3.307929 -2.716922 -0.278836
H 3.434724 3.458868 -0.646290
H 5.227114 1.878926 0.052000


%chk=000186562-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186562

0 1
O 1.439514 -2.444077 -1.302400
O 3.294257 -2.519022 0.738745
C -2.606498 -0.652788 0.037157
C -0.175992 -1.107361 0.072799
C -2.334974 0.745937 0.049074
C 0.968181 -2.098548 0.077952
C 0.106480 0.294791 0.069724
C -4.033194 -1.192929 -0.006992
C -3.465005 1.773595 0.082374
C -5.090627 -0.144619 0.403070
C -4.833043 1.188248 -0.333718
C 2.183281 -1.574882 0.876036
C -1.512393 -1.551209 0.054878
C -0.991172 1.189210 0.063892
C 1.523416 0.756231 0.060637
C 2.556880 -0.157996 0.432032
C 1.891083 2.075538 -0.318198
C 3.907490 0.250858 0.420985
C 3.241262 2.482247 -0.319442
C 4.256263 1.568914 0.050176
H 0.660850 -3.076297 0.482932
H -4.251832 -1.535464 -1.040582
H -4.110103 -2.092117 0.634251
H -3.547781 2.175283 1.114402
H -3.202007 2.635967 -0.560276
H -6.103656 -0.526375 0.176111
H -5.045394 0.029205 1.496963
H -5.634175 1.918185 -0.112571
H -4.849259 1.008051 -1.427423
H 1.932939 -1.573404 1.954377
H -1.707685 -2.631675 0.050680
H -0.807090 2.269954 0.095200
H 1.120910 2.785939 -0.637410
H 4.670688 -0.480988 0.704314
H 1.476299 -1.608394 -1.837169
H 3.274813 -2.808451 -0.216296
H 3.501749 3.503884 -0.617658
H 5.307024 1.879161 0.044377


