%chk=000186588.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186588

0 1
O 4.037187 1.605172 -0.583935
O 6.135975 -0.176406 0.231813
O -3.641699 -3.368487 -0.013730
N -3.995297 -1.086682 -0.086082
C 2.435160 -0.014125 0.174926
C 0.022145 0.406731 0.092159
C 1.361184 0.897949 0.137590
C 3.880243 0.432117 0.239365
C -1.099852 1.317936 0.033578
C -0.226071 -0.992014 0.106556
C 2.169160 -1.402739 0.226451
C 4.876035 -0.626397 -0.307716
C -2.436939 0.832069 -0.026215
C 0.856401 -1.881224 0.187678
C -0.864985 2.722837 0.037222
C 1.548493 2.341447 0.155409
C -1.583744 -1.480851 0.046347
C -2.643214 -0.625294 -0.020297
C 3.271221 -2.373133 0.341981
C 4.543439 -2.023353 0.120767
C 0.503803 3.199509 0.107307
C -3.495336 1.753545 -0.085897
C -1.946864 3.614609 -0.023183
C -3.252652 3.127941 -0.085204
C -4.417136 -2.437713 -0.080079
C -5.910568 -2.597688 -0.162940
H 4.154953 0.706695 1.288683
H 4.941840 -0.559535 -1.422351
H 0.664856 -2.954318 0.217615
H 2.577741 2.719993 0.197399
H -1.728826 -2.568965 0.054309
H 2.994265 -3.391133 0.622745
H 5.375377 -2.714986 0.218232
H 0.661082 4.278077 0.118619
H -4.527283 1.404674 -0.133665
H -1.765496 4.688732 -0.022105
H -4.088890 3.824630 -0.132998
H 4.985480 1.879326 -0.572798
H -4.710976 -0.355154 -0.142928
H 6.835752 -0.841868 0.093316
H -6.432428 -2.142672 0.689014
H -6.168112 -3.671314 -0.156049
H -6.330226 -2.178636 -1.086809


%chk=000186588-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186588

0 1
O 4.271429 1.723379 -0.197052
O 6.241476 -0.140572 0.159567
O -3.713988 -3.462075 0.027036
N -4.008651 -1.129533 -0.070728
C 2.466628 0.004539 0.162531
C 0.012912 0.417740 0.061526
C 1.373659 0.924951 0.103892
C 3.936674 0.398995 0.342868
C -1.114453 1.310801 -0.003532
C -0.235577 -0.999063 0.103449
C 2.194882 -1.404034 0.220472
C 4.909256 -0.613241 -0.296576
C -2.469541 0.802433 -0.046479
C 0.867204 -1.880828 0.194356
C -0.889942 2.736860 -0.019156
C 1.551222 2.368176 0.093498
C -1.581260 -1.506956 0.061040
C -2.670919 -0.649004 -0.017586
C 3.296189 -2.380281 0.325449
C 4.594661 -2.032598 0.109986
C 0.469022 3.223396 0.036833
C -3.542576 1.735798 -0.109374
C -1.993316 3.627310 -0.083157
C -3.307617 3.126840 -0.129079
C -4.469891 -2.450270 -0.049282
C -5.993635 -2.565162 -0.129944
H 4.159705 0.387758 1.437216
H 4.851177 -0.503412 -1.403873
H 0.683601 -2.961024 0.239202
H 2.570634 2.755059 0.113921
H -1.751212 -2.584992 0.088177
H 3.027705 -3.419076 0.552447
H 5.407279 -2.767678 0.149084
H 0.628937 4.308268 0.028403
H -4.588768 1.407813 -0.139921
H -1.810307 4.707699 -0.094994
H -4.156612 3.817130 -0.177532
H 5.261648 1.788515 -0.119258
H -4.735725 -0.416975 -0.137040
H 6.953343 -0.608944 -0.342641
H -6.482275 -2.059196 0.723592
H -6.264496 -3.630412 -0.109339
H -6.383283 -2.118833 -1.063901


