%chk=000195567.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195567

0 1
O -3.322686 0.642950 2.008166
O 5.066179 1.620313 1.024129
O 1.604684 1.234071 -1.751878
O -0.114337 -2.053527 1.206318
O -6.777543 0.138602 -0.460548
O -6.124357 0.210715 1.682868
O -3.827735 -1.535701 -2.262290
O 4.888799 1.464061 -1.835390
N -3.919888 -1.247893 0.006288
N 5.168378 -0.726131 -1.225332
C -3.506289 1.128248 0.671069
C -2.139152 1.188642 0.037638
C -4.424096 0.128737 -0.107434
C 0.201510 0.490207 0.014534
C 1.322091 -0.245531 0.618079
C -1.069741 0.479034 0.602849
C 3.697728 -0.390250 1.183249
C 5.090859 0.203022 1.140653
C 2.612778 0.301875 0.629327
C -1.949481 1.943154 -1.127923
C 0.357804 1.249214 -1.170923
C 1.157597 -1.518113 1.214430
C -0.697101 1.976831 -1.740151
C 5.943638 -0.404926 -0.007765
C 3.499450 -1.646026 1.770233
C 2.227089 -2.219396 1.787897
C -5.822781 0.153195 0.510606
C -3.569625 -1.964826 -1.155080
C 4.652892 0.280659 -2.041936
H -3.984416 2.134053 0.718098
H -4.489883 0.419833 -1.201402
H -1.233376 -0.092197 1.526785
H 5.606911 0.063070 2.123571
H 2.777953 1.294686 0.190713
H -2.775451 2.502843 -1.567209
H -0.545322 2.554063 -2.647869
H 6.459119 -1.324498 0.339227
H 6.740419 0.335836 -0.272403
H 4.334384 -2.182654 2.219538
H 2.069836 -3.190873 2.246198
H -3.502268 -1.471116 0.914812
H -4.192559 0.641478 2.493628
H 4.779575 -1.664099 -1.264030
H 4.896767 1.905449 0.078158
H 1.668537 1.863857 -2.514645
H -3.107515 -2.942544 -0.949272
H -0.138224 -2.932887 1.658707
H -7.707543 0.126949 -0.095541
H 4.065692 -0.077259 -2.902847


%chk=000195567-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195567

0 1
O -3.421293 0.828013 2.072927
O 5.128841 1.616359 1.064690
O 1.583280 1.172353 -1.899615
O -0.203064 -2.148475 1.108725
O -6.820633 -0.219212 -0.408599
O -6.158257 0.429954 1.711949
O -3.903903 -1.759924 -2.176530
O 5.043299 1.691982 -1.667972
N -3.836534 -1.178377 0.093947
N 5.253065 -0.604260 -1.283159
C -3.562904 1.219431 0.665369
C -2.182966 1.288347 0.034530
C -4.445857 0.147792 -0.066892
C 0.166615 0.502295 -0.036380
C 1.280613 -0.272403 0.583070
C -1.108935 0.553856 0.579368
C 3.677234 -0.417731 1.220778
C 5.092350 0.166243 1.169123
C 2.591805 0.269575 0.640296
C -1.979895 2.026129 -1.153850
C 0.337371 1.242776 -1.243775
C 1.084921 -1.559826 1.163580
C -0.722720 2.005075 -1.787761
C 5.931493 -0.507152 0.030655
C 3.446440 -1.687359 1.802120
C 2.155875 -2.253332 1.774988
C -5.862557 0.142892 0.520757
C -3.543828 -1.988435 -0.990898
C 4.887120 0.482096 -2.030414
H -4.078678 2.199756 0.582832
H -4.512666 0.345719 -1.151013
H -1.263674 0.021162 1.519212
H 5.615542 -0.069224 2.117156
H 2.764152 1.265209 0.225621
H -2.794588 2.615629 -1.591862
H -0.566692 2.572243 -2.714624
H 6.200912 -1.535622 0.326967
H 6.863520 0.077876 -0.086530
H 4.264907 -2.233128 2.288853
H 1.976688 -3.235427 2.234035
H -3.388105 -1.355414 0.999318
H -4.341227 0.817024 2.462409
H 4.971457 -1.527244 -1.618511
H 5.118981 1.872194 0.088348
H 1.608770 1.800591 -2.663565
H -2.948905 -2.879859 -0.693316
H -0.160500 -3.062316 1.487011
H -7.720792 -0.250664 0.019400
H 4.433223 0.218017 -3.006868


