%chk=000195591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195591

0 1
O -1.365635 -1.331247 -0.685014
O -0.005594 0.464763 -0.080266
O -4.934175 0.732826 0.255070
O -4.944914 -2.152707 -0.103427
O -1.219877 -4.144471 -1.050649
O -1.456133 3.302415 -0.576536
O 4.469979 -2.251278 1.605620
N -2.354014 1.892605 1.026313
N 1.035667 -1.237058 1.064037
N 2.187878 -1.884101 1.471845
N 1.669986 2.360168 -1.451223
C -2.419800 0.730136 0.136757
C -3.713227 -0.080044 0.395667
C -3.802707 -1.335162 -0.501238
C -2.532689 -2.189487 -0.345972
C -1.210633 -0.241008 0.278800
C -2.442639 -3.383370 -1.297003
C -1.897567 3.129093 0.597098
C 1.199082 -0.169488 0.303153
C 2.480641 0.380294 -0.147295
C -1.943069 4.239975 1.637446
C 3.649656 -0.348238 0.296282
C 2.681346 1.561407 -0.982969
C 3.512578 -1.548121 1.159446
C 4.954145 0.040096 -0.065046
C 4.024005 1.911386 -1.330509
C 5.128158 1.171229 -0.884953
H -2.396869 1.107111 -0.905390
H -3.753986 -0.415701 1.451068
H -3.896220 -1.007906 -1.562817
H -2.442499 -2.543161 0.703522
H -1.120563 -0.658842 1.304796
H -2.490191 -3.019567 -2.346051
H -3.281180 -4.071491 -1.111196
H -2.777124 1.817180 1.953305
H -4.901857 1.223327 -0.607436
H -5.726086 -1.546555 -0.004738
H -0.460546 -3.505092 -1.082467
H -1.855454 5.210061 1.126883
H -2.876186 4.223305 2.228642
H -1.091493 4.139575 2.335502
H 2.030098 -2.712557 2.049532
H 5.795190 -0.553431 0.302712
H 4.181994 2.791933 -1.965104
H 6.135929 1.483702 -1.179805
H 0.692467 2.219880 -1.201836
H 1.901331 3.195617 -1.984060


%chk=000195591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195591

0 1
O -1.387972 -1.401047 -0.665143
O 0.016872 0.359427 -0.031759
O -4.885078 0.831101 0.136880
O -5.018242 -2.052980 -0.203774
O -1.348389 -4.216433 -1.005340
O -1.250173 3.216462 -0.596800
O 4.616055 -2.184595 1.608608
N -2.271406 1.871055 0.997081
N 1.120158 -1.345653 1.118790
N 2.311838 -1.937292 1.508094
N 1.464936 2.264716 -1.319982
C -2.370404 0.709842 0.110741
C -3.709428 -0.036220 0.327148
C -3.824973 -1.293241 -0.564661
C -2.601566 -2.204150 -0.357289
C -1.215227 -0.311682 0.296387
C -2.533549 -3.411601 -1.292935
C -1.734830 3.076745 0.570276
C 1.226321 -0.260527 0.365829
C 2.464556 0.349409 -0.083648
C -1.754897 4.211803 1.583516
C 3.676515 -0.312845 0.330737
C 2.561063 1.543292 -0.899500
C 3.615974 -1.528854 1.182285
C 4.947115 0.161119 -0.050657
C 3.867865 1.987756 -1.273388
C 5.029751 1.313568 -0.860683
H -2.292604 1.082408 -0.930380
H -3.803787 -0.362051 1.382206
H -3.864070 -0.970670 -1.630991
H -2.561983 -2.549899 0.697974
H -1.170669 -0.726683 1.325907
H -2.539157 -3.058816 -2.346793
H -3.403085 -4.064307 -1.122380
H -2.706507 1.817000 1.919693
H -4.793281 1.321652 -0.721139
H -5.773208 -1.410113 -0.139991
H -0.565466 -3.605456 -1.016121
H -2.238994 5.092391 1.128552
H -2.278177 3.958688 2.521293
H -0.715789 4.497657 1.822955
H 2.204727 -2.778537 2.078825
H 5.831549 -0.381914 0.292462
H 3.952280 2.884960 -1.898864
H 6.008483 1.694327 -1.172531
H 0.508719 2.037030 -1.040214
H 1.605337 3.121159 -1.850783


