%chk=000266482.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266482

0 1
S -3.847765 2.152675 -0.237337
O 2.958901 0.228939 1.112987
O 1.991486 -2.939912 0.245249
O 4.611798 2.267272 -0.577286
N 0.647313 0.231532 0.719656
N -0.689068 2.102709 0.604148
N -1.033620 -1.486440 0.032689
N -3.249542 -0.454305 -0.430593
N -2.863533 -2.767362 -0.750126
C 1.827219 -0.629368 0.975350
C 2.100563 -1.599206 -0.222703
C 3.569687 -1.348022 -0.585705
C 3.906564 0.020665 0.013712
C 3.761480 1.188508 -0.974084
C -0.614665 -0.212008 0.315216
C 0.535561 1.658428 0.886630
C -1.443263 0.972145 0.243219
C -2.787128 0.777177 -0.143608
C -2.360353 -1.538278 -0.351726
C -5.429268 1.474200 -0.764513
H 1.713587 -1.152088 1.956998
H 1.407989 -1.444782 -1.077482
H 4.199398 -2.151243 -0.143722
H 3.743565 -1.402972 -1.673065
H 4.891175 0.056404 0.531281
H 2.715454 1.537754 -1.047485
H 4.141008 0.936394 -1.983421
H 1.034748 -3.199828 0.271033
H 1.386847 2.241842 1.213838
H 4.303622 2.645752 0.275157
H -2.345646 -3.602919 -0.524932
H -3.862840 -2.865724 -0.862096
H -5.350066 0.946157 -1.724869
H -6.133813 2.308204 -0.875914
H -5.833994 0.761899 -0.033198


%chk=000266482-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266482

0 1
S -4.132895 2.110051 0.055573
O 2.954803 0.532924 0.886540
O 1.405715 -2.631838 -0.174221
O 4.636350 2.205116 -0.661740
N 0.578886 0.431800 0.665345
N -0.884036 2.200493 0.803688
N -0.990482 -1.328849 -0.113052
N -3.272611 -0.464253 -0.394363
N -2.759155 -2.702085 -0.834401
C 1.806380 -0.372332 0.834632
C 2.062378 -1.358656 -0.345522
C 3.596105 -1.498112 -0.297760
C 4.088874 -0.088290 0.085436
C 4.364941 0.839831 -1.107553
C -0.665123 -0.060302 0.273423
C 0.382163 1.795179 0.985029
C -1.560351 1.048243 0.359109
C -2.908239 0.783369 -0.004306
C -2.320313 -1.462429 -0.433722
C -5.664767 1.173873 -0.505878
H 1.735306 -0.945895 1.782103
H 1.745844 -0.854857 -1.285781
H 3.853802 -2.241013 0.476557
H 4.005402 -1.842234 -1.262279
H 4.958438 -0.088731 0.764639
H 3.510439 0.811024 -1.818429
H 5.278737 0.514509 -1.634544
H 0.406619 -2.416895 -0.186110
H 1.202731 2.414990 1.333649
H 3.898856 2.465212 -0.050153
H -2.112031 -3.483831 -0.885501
H -3.739524 -2.816297 -1.075033
H -5.506044 0.771537 -1.515795
H -6.475860 1.918322 -0.500728
H -5.877938 0.354627 0.194446


