%chk=000192713.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192713

0 1
O -1.897052 1.647949 -1.554989
O 1.671052 1.428060 -1.049769
O 2.188322 -0.690487 -0.207346
O 0.405511 3.223398 0.788416
O -2.323035 -0.287140 -0.353654
O -1.810514 2.724457 2.456446
O -4.250843 2.350538 0.596472
O 5.078270 0.709258 -0.676143
O 2.989539 2.287546 1.784753
O 4.046337 -1.127007 1.953915
N -4.704022 -2.306583 -1.640779
C -0.591313 2.032490 -1.069343
C -0.528521 2.191534 0.463916
C -1.873013 2.693652 1.024075
C -2.989799 1.681123 0.709152
C -2.816883 1.025756 -0.679397
C 0.400117 0.974420 -1.581889
C 2.688229 0.434979 -0.915251
C 3.829650 1.209031 -0.208879
C 3.784369 1.178348 1.335011
C 3.089841 -0.063573 1.948656
C 1.832408 -0.456843 1.172089
C -2.309391 -1.245408 -1.439316
C -1.282794 -2.281703 -1.036171
C -3.652622 -1.840938 -1.553119
C -1.174223 -2.676483 0.304014
C -0.441444 -2.838543 -2.009090
C -0.218364 -3.627516 0.671539
C 0.508213 -3.793140 -1.634971
C 0.621431 -4.186740 -0.296852
H -0.428798 3.018637 -1.570194
H -0.208480 1.241132 0.967137
H -2.116573 3.715896 0.653309
H -3.051679 0.905773 1.514569
H -3.753175 1.003538 -1.281962
H 0.473389 0.972197 -2.681679
H 0.166731 -0.041721 -1.210474
H 2.974108 -0.001032 -1.896104
H 3.828910 2.269388 -0.576337
H 4.822697 1.258967 1.736852
H 2.878129 0.117733 3.030230
H 1.041563 0.324781 1.228605
H 1.418708 -1.437698 1.476657
H 1.338904 2.863788 0.685576
H -1.022878 3.257021 2.733917
H -4.499726 2.735010 1.470285
H -2.037904 -0.715836 -2.390379
H 5.258347 -0.189312 -0.314787
H 3.547437 3.086146 1.905419
H 3.961055 -1.668541 1.133276
H -1.837031 -2.234457 1.050795
H -0.526099 -2.539489 -3.052635
H -0.136234 -3.940755 1.711631
H 1.161275 -4.231987 -2.388322
H 1.362072 -4.932509 -0.010481


%chk=000192713-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192713

0 1
O -1.891208 1.642626 -1.447205
O 1.777870 1.584864 -0.873264
O 2.699908 -0.532616 -0.153438
O 0.356275 3.131609 1.181863
O -2.390614 -0.436529 -0.300684
O -2.024278 2.971553 2.516824
O -4.393773 2.141030 0.826467
O 5.373028 0.797369 -0.928824
O 3.161877 2.701224 1.474397
O 5.117994 -0.393504 1.541249
N -4.857652 -1.659739 -2.433587
C -0.568324 2.034097 -0.872159
C -0.600047 2.154784 0.670878
C -1.984681 2.671300 1.086654
C -3.036622 1.593363 0.816366
C -2.829609 0.949514 -0.572679
C 0.494013 1.043586 -1.366342
C 2.907430 0.676808 -0.960107
C 4.151650 1.485860 -0.521618
C 4.182975 1.740377 1.013117
C 3.915360 0.434784 1.793102
C 2.633996 -0.252234 1.295723
C -2.369192 -1.314598 -1.505883
C -1.702565 -2.621265 -1.100447
C -3.749899 -1.512586 -2.016511
C -2.414014 -3.592355 -0.353465
C -0.345124 -2.849085 -1.429286
C -1.771396 -4.778709 0.059541
C 0.298742 -4.036242 -1.015262
C -0.413589 -5.003446 -0.269881
H -0.367252 3.038154 -1.287985
H -0.426721 1.157115 1.132950
H -2.223230 3.582428 0.498016
H -2.921895 0.809062 1.591959
H -3.779352 0.963033 -1.136873
H 0.504957 0.993323 -2.473675
H 0.320508 0.038029 -0.940415
H 3.047391 0.280412 -1.983189
H 4.145998 2.444648 -1.068036
H 5.196291 2.103634 1.272932
H 3.823434 0.665620 2.872297
H 1.763886 0.389690 1.531239
H 2.485936 -1.239208 1.766601
H 1.295194 2.791720 1.091326
H -1.175454 3.450986 2.716569
H -4.529725 2.587955 1.700827
H -1.788340 -0.809603 -2.304517
H 5.543603 0.083454 -0.246611
H 3.435363 3.615911 1.215727
H 4.954626 -1.325860 1.829790
H -3.466342 -3.419775 -0.101057
H 0.213115 -2.105972 -2.010645
H -2.327509 -5.528070 0.633113
H 1.349030 -4.203595 -1.276393
H 0.082158 -5.927826 0.046911


