%chk=000188888.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188888

0 1
S 3.199252 0.559220 -0.430018
O 1.566906 0.467627 1.650199
N 0.727702 1.573566 -0.188969
C -1.705570 0.832113 -0.311106
C -3.037988 0.861150 0.497158
C -0.635328 1.700071 0.394594
C -1.240233 -0.596151 -0.500902
C -3.552149 2.295177 0.676662
C -4.106858 0.009685 -0.198504
C -1.339629 -1.189217 -1.769855
C -0.723934 -1.343612 0.568272
C 0.885845 1.879828 -1.627796
C 1.674794 0.839555 0.500277
C -0.932904 -2.512204 -1.962875
C -0.318030 -2.665659 0.370595
C -0.423225 -3.254627 -0.893551
C 4.249796 -0.246968 0.831974
C 5.484798 0.596772 1.043054
H -1.906152 1.282992 -1.315380
H -2.842261 0.423239 1.507967
H -0.577502 1.436637 1.479501
H -0.925474 2.773608 0.340066
H -4.530861 2.299437 1.172028
H -3.677254 2.807415 -0.283052
H -2.882113 2.900110 1.295784
H -4.329748 0.374850 -1.206078
H -3.788473 -1.036607 -0.292732
H -5.045013 0.012023 0.366828
H -1.738545 -0.622415 -2.607794
H -0.612845 -0.887819 1.553676
H 0.876274 0.965167 -2.248887
H 1.833130 2.423148 -1.806072
H 0.069193 2.534603 -1.973001
H -1.012498 -2.964701 -2.949497
H 0.086894 -3.235907 1.205431
H -0.105816 -4.283584 -1.044673
H 3.667417 -0.370344 1.773810
H 4.493203 -1.261388 0.463989
H 6.065090 0.731914 0.120681
H 5.239062 1.599994 1.420429
H 6.154750 0.133299 1.781167


%chk=000188888-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188888

0 1
S 3.421533 0.448080 -0.667685
O 1.775497 0.469729 1.549138
N 0.823957 1.344848 -0.402228
C -1.661149 0.757244 -0.349995
C -2.940817 0.897039 0.553480
C -0.480152 1.570265 0.264196
C -1.296807 -0.711433 -0.579035
C -3.284143 2.373424 0.876129
C -4.161730 0.207607 -0.101289
C -1.541895 -1.324844 -1.834058
C -0.735744 -1.501999 0.458184
C 0.920351 1.688868 -1.829164
C 1.847347 0.769911 0.323757
C -1.247387 -2.690353 -2.051235
C -0.438811 -2.865820 0.245971
C -0.695019 -3.467890 -1.008152
C 4.504997 -0.116779 0.780517
C 5.186477 1.053935 1.500827
H -1.916870 1.204848 -1.334644
H -2.721909 0.374652 1.509172
H -0.343868 1.312223 1.328059
H -0.714306 2.650187 0.203670
H -4.237350 2.427331 1.433754
H -3.408807 2.963186 -0.053436
H -2.512952 2.864913 1.494913
H -4.426344 0.705602 -1.054915
H -3.964535 -0.856352 -0.316336
H -5.042861 0.267001 0.563863
H -1.976140 -0.727996 -2.647015
H -0.504333 -1.049775 1.429441
H 0.562935 0.863264 -2.473306
H 1.962632 1.924374 -2.100889
H 0.304495 2.585427 -2.024125
H -1.446497 -3.143591 -3.029154
H 0.002200 -3.456412 1.056976
H -0.461128 -4.525938 -1.171480
H 3.829287 -0.665125 1.457213
H 5.226930 -0.815866 0.325879
H 5.814602 1.645297 0.811861
H 4.430285 1.720757 1.948661
H 5.831733 0.672159 2.315880


