%chk=000247151.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247151

0 1
S -6.911184 -0.665005 -0.231597
S 5.345963 -1.938319 0.758127
O -1.758535 -1.828295 0.524053
O 2.643390 3.213304 -0.608270
O -5.363196 -0.252433 -0.777973
O 4.530041 -0.498906 1.131806
O -6.976286 -0.271337 1.148964
O -7.132178 -2.034958 -0.602638
O 6.681002 -1.560043 0.386970
O 4.498487 -2.623046 -0.181358
N -0.525484 -0.433854 -0.777586
N 1.464482 1.427881 0.129912
C 0.741691 -0.965682 -0.178652
C 0.228635 1.951115 -0.530122
C -0.363822 0.865162 -1.469345
C 1.348562 0.100038 0.777295
C 1.708303 -1.388524 -1.279863
C -0.782656 2.415189 0.520092
C -1.749750 -0.901564 -0.275388
C 2.637708 2.177046 0.046068
C -3.021428 -0.289563 -0.820239
C 3.869328 1.737107 0.815702
C -4.247392 -0.966870 -0.204035
C 4.618695 0.578345 0.167880
C -7.800344 0.424076 -1.248107
C 5.283392 -2.670455 2.324400
H 0.473366 -1.872183 0.439704
H 0.528327 2.837828 -1.163888
H 0.325465 0.709368 -2.334267
H -1.321421 1.220315 -1.899727
H 2.340944 -0.258618 1.135186
H 0.698514 0.197856 1.677556
H 2.116008 -0.540399 -1.838377
H 2.563555 -1.953064 -0.867261
H 1.220629 -2.054734 -2.003629
H -1.157949 1.589615 1.135981
H -0.329977 3.145984 1.204350
H -1.644054 2.904794 0.053389
H -3.065793 0.801444 -0.615855
H -3.064879 -0.387901 -1.926775
H 3.610690 1.470866 1.865883
H 4.538335 2.624456 0.903218
H -4.321120 -2.034858 -0.487838
H -4.270097 -0.859827 0.897912
H 5.689639 0.813976 0.007929
H 4.156440 0.239303 -0.779153
H -7.148154 1.018635 -1.911735
H -8.508833 -0.088069 -1.919138
H -8.392518 1.161653 -0.682933
H 4.733412 -3.627058 2.340690
H 6.278853 -2.889015 2.746824
H 4.783492 -2.037775 3.079761


%chk=000247151-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247151

0 1
S -7.280024 -0.934865 -0.993035
S 5.425052 -1.567794 1.666863
O -2.187859 -1.852138 0.665611
O 2.877218 3.040550 -0.614029
O -5.603798 -0.107080 -1.052454
O 5.877982 -0.252956 0.396220
O -7.872702 -0.896890 0.512489
O -7.216847 -2.337464 -1.799894
O 4.040675 -2.262684 1.166910
O 5.519840 -0.971631 3.165326
N -0.797417 -0.213133 -0.224926
N 1.527617 1.365899 0.280434
C 0.407159 -0.882821 0.344908
C 0.317024 2.025324 -0.289437
C -0.521269 0.973066 -1.059000
C 1.262042 0.164606 1.106164
C 1.205130 -1.646137 -0.734901
C -0.497525 2.755382 0.802385
C -2.045447 -0.793309 -0.026352
C 2.758786 1.993807 0.103767
C -3.258135 -0.104000 -0.676459
C 4.000069 1.380464 0.764278
C -4.539573 -0.886841 -0.366145
C 4.671190 0.370314 -0.191276
C -8.098709 0.405649 -2.055003
C 6.918428 -2.675920 1.306456
H 0.024309 -1.612118 1.080322
H 0.697955 2.769729 -1.011101
H 0.032702 0.668437 -1.969273
H -1.465159 1.436990 -1.381816
H 2.204573 -0.319653 1.400265
H 0.726601 0.462304 2.029279
H 1.628330 -0.967689 -1.499111
H 2.040296 -2.191802 -0.259730
H 0.552966 -2.378598 -1.240881
H -0.951859 2.052275 1.523736
H 0.150229 3.457157 1.354949
H -1.312408 3.340894 0.338492
H -3.364220 0.931964 -0.301815
H -3.128571 -0.041848 -1.773681
H 3.774369 0.900431 1.732090
H 4.697811 2.210707 0.958796
H -4.488020 -1.912674 -0.771785
H -4.731172 -0.930389 0.719585
H 5.069881 0.880023 -1.086972
H 3.967933 -0.422602 -0.512702
H -7.969748 1.347077 -1.506212
H -7.566918 0.399569 -3.014685
H -9.152764 0.111373 -2.150853
H 6.866459 -3.501894 2.029076
H 6.806772 -3.006668 0.266377
H 7.801046 -2.039392 1.452653


