%chk=000213175.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213175

0 1
O -1.031035 0.694088 -1.073934
O -0.440099 -2.261995 -0.863194
O -1.493618 2.357445 0.427212
O 0.707524 -0.697560 -2.107243
O 1.100020 3.473283 1.244419
O 3.001749 0.095575 -0.599853
N 0.682802 1.978873 -0.465324
N 1.546781 -1.614762 -0.089699
C -2.639597 -1.106634 -0.741296
C -2.367378 -1.244168 0.789687
C -2.442010 0.361779 -1.191018
C -1.702501 -2.031261 -1.562689
C -3.283261 -0.324261 1.625393
C -4.084875 -1.486628 -1.106943
C -2.492433 -2.698307 1.259217
C -2.743778 -0.102293 3.036474
C -0.691997 1.772555 -0.255965
C 0.609059 -1.406173 -1.141246
C 1.498828 2.935842 0.243137
C 2.729714 -0.844625 0.112735
C 2.845899 3.130464 -0.415388
C 3.573576 -1.307918 1.282506
C 3.653559 4.200767 0.305080
C 2.982523 -0.826510 2.600986
H -1.307466 -0.915388 0.948696
H -3.051976 1.064465 -0.584601
H -2.649754 0.509944 -2.265183
H -2.086562 -3.065814 -1.631092
H -1.490333 -1.628722 -2.569380
H -3.378722 0.667996 1.128379
H -4.304265 -0.745446 1.674777
H -4.260728 -1.467445 -2.187672
H -4.335260 -2.492648 -0.746564
H -4.809481 -0.803493 -0.646367
H -1.734563 -3.336366 0.789551
H -2.352294 -2.768796 2.344628
H -3.477270 -3.120277 1.034414
H -3.435756 0.509252 3.627712
H -1.785541 0.432752 3.017335
H -2.593369 -1.044639 3.573024
H 1.132282 1.362934 -1.181557
H 1.293906 -2.334930 0.600951
H 2.716014 3.400271 -1.485717
H 3.406892 2.163148 -0.429181
H 4.600243 -0.893749 1.151497
H 3.701371 -2.409549 1.283479
H 3.143647 5.173866 0.283039
H 4.640558 4.327287 -0.153835
H 3.801835 3.949743 1.364190
H 2.866042 0.267378 2.620952
H 3.635472 -1.092350 3.443391
H 1.996626 -1.261800 2.804178


%chk=000213175-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213175

0 1
O -0.894388 0.514816 -0.659983
O -0.478400 -2.503366 -0.528678
O -1.687914 2.687639 -0.211108
O 0.679011 -1.341094 -2.222805
O 0.555655 4.218710 0.894130
O 2.738866 0.063808 -0.538143
N 0.630622 2.119678 -0.176146
N 1.692048 -1.994380 -0.170151
C -2.675407 -1.247287 -0.685410
C -2.702098 -1.250070 0.891426
C -2.201523 0.121167 -1.240223
C -1.780489 -2.391626 -1.243917
C -3.638829 -0.154084 1.480057
C -4.084014 -1.489834 -1.304588
C -3.041847 -2.641901 1.480593
C -3.422640 0.095826 2.990224
C -0.741213 1.885083 -0.325002
C 0.623105 -1.867533 -1.100263
C 1.217205 3.305076 0.344836
C 2.745330 -1.081288 -0.007588
C 2.736623 3.361360 0.141395
C 3.893298 -1.591302 0.867018
C 3.428148 4.273764 1.171735
C 4.718799 -0.450866 1.490639
H -1.669728 -0.999746 1.209390
H -2.931654 0.920090 -1.026491
H -2.047457 0.053537 -2.333833
H -2.253524 -3.373620 -1.087535
H -1.578333 -2.239998 -2.320585
H -3.471443 0.806986 0.959056
H -4.697819 -0.434486 1.306164
H -4.037668 -1.518918 -2.410365
H -4.512594 -2.447523 -0.960915
H -4.783272 -0.684702 -1.021531
H -2.320960 -3.414395 1.161222
H -3.005485 -2.607369 2.583454
H -4.059015 -2.973927 1.197734
H -4.049795 0.936625 3.338050
H -2.368448 0.361008 3.196208
H -3.679819 -0.786053 3.604555
H 1.264099 1.364589 -0.493258
H 1.598188 -2.756153 0.506471
H 2.904744 3.756276 -0.882233
H 3.163791 2.342183 0.145909
H 4.539673 -2.215443 0.216327
H 3.502193 -2.269587 1.650828
H 2.948476 5.266525 1.190717
H 4.497206 4.399091 0.923976
H 3.354849 3.851737 2.190098
H 5.077591 0.236897 0.707212
H 5.592271 -0.857340 2.029090
H 4.114984 0.136618 2.204337


