%chk=000188892.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188892

0 1
S 1.078420 2.489853 -0.595135
O 3.177736 1.305089 0.483878
N 1.372066 -0.079352 0.145193
C 2.074278 -1.267202 0.713592
C -0.024503 -0.268414 -0.315950
C 2.658109 -2.146777 -0.402646
C -1.034882 0.100108 0.787530
C 3.351643 -3.383632 0.182699
C -2.437137 -0.149250 0.306576
C 2.041824 1.123882 0.100365
C 3.934492 -4.270219 -0.914989
C -3.100461 0.822529 -0.459015
C -3.087563 -1.354381 0.611397
C -4.401548 0.589616 -0.910980
C -4.389754 -1.581597 0.157116
C 2.298490 3.853296 -0.534861
C -5.049110 -0.611838 -0.604302
C 1.667507 5.020121 0.187222
H 1.361201 -1.841150 1.343028
H 2.892353 -0.911798 1.386769
H -0.162904 -1.333669 -0.614554
H -0.218732 0.327236 -1.238688
H 3.379761 -1.556258 -1.003438
H 1.865423 -2.453981 -1.110661
H -0.821778 -0.475782 1.710228
H -0.910071 1.164219 1.083843
H 2.636115 -3.968146 0.793583
H 4.158971 -3.070187 0.874923
H 3.159136 -4.631484 -1.600031
H 4.433220 -5.149154 -0.490673
H 4.677155 -3.732178 -1.516286
H -2.600591 1.759781 -0.699477
H -2.581521 -2.113437 1.203683
H -4.912913 1.346775 -1.503437
H -4.891678 -2.517270 0.398068
H 2.576748 4.104817 -1.575363
H 3.223841 3.500231 -0.024110
H -6.062664 -0.790414 -0.956409
H 0.751381 5.374828 -0.303525
H 1.403846 4.770663 1.225207
H 2.359892 5.873326 0.230732


%chk=000188892-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188892

0 1
S 0.882725 2.517191 -0.948566
O 3.136681 1.377848 0.186189
N 1.287974 -0.041673 0.019693
C 2.036359 -1.161092 0.649001
C -0.116956 -0.278690 -0.369235
C 2.732880 -2.076986 -0.382476
C -1.129378 0.073897 0.761438
C 3.457590 -3.263174 0.293373
C -2.562824 -0.153580 0.308055
C 1.940118 1.160409 -0.149734
C 4.163521 -4.184485 -0.724279
C -3.222312 0.818865 -0.489399
C -3.254507 -1.350320 0.626679
C -4.538349 0.602053 -0.953888
C -4.571849 -1.571715 0.163617
C 2.159344 3.913687 -0.829174
C -5.218043 -0.595701 -0.629476
C 2.093308 4.654149 0.512346
H 1.319715 -1.745708 1.258599
H 2.789936 -0.725998 1.328340
H -0.221967 -1.345585 -0.640568
H -0.359151 0.304889 -1.275567
H 3.459087 -1.473463 -0.959690
H 1.985648 -2.463175 -1.105875
H -0.900486 -0.541925 1.651796
H -0.971921 1.132894 1.036682
H 2.727460 -3.854494 0.883901
H 4.201803 -2.872393 1.016642
H 3.439023 -4.613834 -1.441761
H 4.677719 -5.023246 -0.220371
H 4.919677 -3.624831 -1.305909
H -2.701085 1.752369 -0.737514
H -2.761254 -2.108867 1.248036
H -5.035036 1.365394 -1.563603
H -5.094149 -2.499489 0.423908
H 1.935163 4.566852 -1.689069
H 3.140022 3.430964 -0.971874
H -6.240174 -0.764084 -0.986790
H 1.092148 5.083880 0.691451
H 2.336259 3.968082 1.341393
H 2.831076 5.479885 0.524782


