%chk=000192327.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192327

0 1
S -3.095168 1.097069 0.104501
O -3.568003 0.685050 1.406877
O -1.910635 1.923689 -0.024875
N 2.994846 2.416441 -0.809876
N 1.620792 -3.321766 0.327459
N -4.357674 1.999462 -0.662982
C 2.441022 1.201279 -0.120081
C 3.151552 1.089494 1.255037
C 2.711644 -0.021850 -1.026898
C 4.338284 2.068404 1.219069
C 4.332241 2.689761 -0.195687
C 2.025618 -1.239880 -0.532185
C 0.593795 -1.436408 -0.472548
C 0.368672 -2.746518 0.074646
C 2.620917 -2.392714 -0.042446
C -0.506887 -0.636135 -0.816404
C -1.788934 -1.131222 -0.605724
C -0.932702 -3.248163 0.282827
C -2.977619 -0.295616 -0.968196
C -1.993844 -2.430676 -0.058126
C -5.595331 2.202546 0.127371
H 1.337344 1.313261 0.019095
H 3.483712 0.056918 1.450082
H 2.452609 1.341236 2.069694
H 3.804161 -0.182711 -1.121753
H 2.366507 0.216925 -2.057993
H 4.231857 2.844945 1.994079
H 5.290462 1.554192 1.423116
H 4.554062 3.771286 -0.181590
H 5.098897 2.208213 -0.838694
H 2.369632 3.213786 -0.650662
H 3.664690 -2.623587 0.067767
H -0.340715 0.366277 -1.219476
H 1.785171 -4.228930 0.712894
H -1.088847 -4.236646 0.701860
H -3.912542 -0.896832 -0.945558
H -2.905497 0.015750 -2.035173
H -3.013747 -2.779140 0.101076
H -4.068967 2.876004 -1.120032
H -5.516460 3.010071 0.874801
H -5.869616 1.280035 0.672313
H -6.426699 2.444000 -0.557504


%chk=000192327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192327

0 1
S -3.200982 1.154444 0.280615
O -3.856074 0.497762 1.624182
O -1.866727 2.097846 0.356426
N 3.534024 2.144661 -0.978072
N 1.582250 -3.400180 0.400478
N -4.554834 2.173341 -0.595257
C 2.780880 1.022324 -0.347472
C 3.463584 0.871477 1.034842
C 2.848407 -0.257658 -1.231631
C 3.819990 2.329238 1.416510
C 4.253596 2.947030 0.058230
C 2.091185 -1.426276 -0.653021
C 0.643833 -1.557354 -0.557596
C 0.356596 -2.802234 0.114459
C 2.622914 -2.569186 -0.060192
C -0.430832 -0.742224 -0.975471
C -1.761339 -1.155929 -0.713665
C -0.964588 -3.226465 0.388109
C -2.889503 -0.293908 -1.116253
C -2.013724 -2.388568 -0.022603
C -5.767877 2.355867 0.245725
H 1.708375 1.282745 -0.185717
H 4.384739 0.265014 0.928116
H 2.807442 0.376119 1.769065
H 3.916288 -0.505814 -1.373734
H 2.448558 -0.006452 -2.234936
H 2.921834 2.844325 1.805754
H 4.611186 2.392428 2.183844
H 4.000447 4.023975 -0.004130
H 5.350868 2.856671 -0.074816
H 2.982666 2.700992 -1.638748
H 3.665017 -2.855727 0.069883
H -0.247796 0.213700 -1.478453
H 1.708523 -4.293673 0.870740
H -1.170770 -4.167449 0.909130
H -3.884090 -0.761562 -1.132832
H -2.721463 0.353675 -1.988837
H -3.049846 -2.673511 0.191327
H -4.068278 3.068136 -0.800577
H -5.657269 3.090986 1.066795
H -6.041202 1.386578 0.695175
H -6.587409 2.672138 -0.425291


