%chk=000179107.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179107

0 1
O -3.371220 -0.098605 -0.468844
O -0.207087 2.431129 -1.702722
O -0.115845 -1.051926 1.574481
O -3.531964 -0.949606 1.614890
O 1.263586 -0.791507 1.308875
O 5.131308 -0.451107 -0.256712
O 0.543196 -1.044400 -0.843267
O 5.688848 0.483065 -2.232164
N -1.032156 2.588630 -0.719730
C -1.399756 1.239305 -0.020240
C -2.932930 1.184076 0.064242
C -2.353519 3.211325 -1.217943
C -3.486418 2.234785 -0.906533
C -0.374136 3.451900 0.397756
C -0.720310 1.306740 1.324094
C -0.179632 2.514378 1.551743
C -0.667545 0.116648 2.219304
C -3.614421 -1.129230 0.420975
C -3.980759 -2.371099 -0.370089
C -3.011062 -3.505718 0.014117
C -5.434347 -2.728263 -0.064112
C -1.586759 -3.223185 -0.442606
C 1.457478 -0.823651 -0.089610
C 2.856952 -0.565620 -0.366591
C 3.255031 0.089814 -1.673862
C 3.961275 -0.824060 0.386535
C 4.778874 0.126598 -1.559101
C 2.697914 1.489096 -1.856880
C 4.154433 -1.429422 1.709081
H -0.997253 0.391854 -0.654731
H -3.319325 1.290426 1.100874
H -2.518860 4.202788 -0.761029
H -2.241097 3.372958 -2.316092
H -3.834415 1.724902 -1.833319
H -4.370888 2.747128 -0.491617
H 0.596623 3.828872 -0.000032
H -0.993809 4.327553 0.658464
H 0.369248 2.838355 2.421986
H -0.116622 0.314593 3.155867
H -1.689405 -0.288520 2.456388
H -3.871355 -2.149037 -1.465609
H -3.370939 -4.451781 -0.437547
H -3.034622 -3.665627 1.111865
H -5.736780 -3.635034 -0.602959
H -6.121852 -1.928230 -0.364212
H -5.591784 -2.917185 1.006789
H -1.518270 -3.054331 -1.524238
H -0.917340 -4.055540 -0.199750
H -1.156723 -2.323778 0.032691
H 2.959481 -0.559587 -2.540171
H 1.580828 1.479460 -1.875085
H 3.011708 1.939889 -2.805473
H 2.973262 2.169601 -1.045104
H 4.754909 -2.354439 1.650547
H 3.190468 -1.681072 2.191222
H 4.699880 -0.752213 2.389990


%chk=000179107-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179107

0 1
O -3.439654 -0.161204 -0.625913
O -0.492645 2.514932 -1.938904
O -0.089764 -1.126142 1.737781
O -3.592322 -1.043246 1.527551
O 1.372285 -0.760247 1.451940
O 5.318311 -0.247397 -0.192446
O 0.734148 -0.965027 -0.824487
O 5.778320 0.455256 -2.384720
N -1.063651 2.643240 -0.651771
C -1.427773 1.230257 -0.017724
C -2.979713 1.142233 -0.078131
C -2.426377 3.375952 -0.736170
C -3.401393 2.244210 -1.069188
C -0.101275 3.338201 0.347437
C -0.746753 1.256059 1.335018
C -0.043712 2.406748 1.526798
C -0.744609 0.097347 2.294093
C -3.731500 -1.183592 0.287646
C -4.244148 -2.432191 -0.413487
C -3.286904 -3.629397 -0.137337
C -5.682303 -2.737350 0.083654
C -1.877802 -3.455413 -0.741751
C 1.615818 -0.761392 0.036296
C 3.015535 -0.448710 -0.257752
C 3.401691 0.050619 -1.641821
C 4.137492 -0.587217 0.522700
C 4.927740 0.125871 -1.558402
C 2.802242 1.434987 -2.027592
C 4.377054 -1.045228 1.921594
H -0.987166 0.485664 -0.703455
H -3.430146 1.277153 0.922769
H -2.664033 3.830391 0.245615
H -2.314904 4.145871 -1.511367
H -3.227324 1.894703 -2.100674
H -4.457646 2.534068 -0.951654
H 0.856737 3.414245 -0.194693
H -0.462543 4.357109 0.575009
H 0.571263 2.615566 2.408286
H -0.258267 0.369895 3.248688
H -1.761026 -0.306330 2.477341
H -4.259053 -2.225235 -1.498869
H -3.766985 -4.535781 -0.556367
H -3.218323 -3.777964 0.957966
H -6.065111 -3.642981 -0.419562
H -6.376322 -1.905372 -0.133479
H -5.683202 -2.915183 1.173526
H -1.928686 -3.294399 -1.834794
H -1.265996 -4.358205 -0.561682
H -1.335533 -2.598783 -0.303720
H 3.115684 -0.680021 -2.422318
H 1.697939 1.401206 -2.062507
H 3.176862 1.737726 -3.020523
H 3.105046 2.205761 -1.295328
H 5.117502 -1.865213 1.930743
H 3.438206 -1.382249 2.383454
H 4.798788 -0.221705 2.527480


