%chk=000190733.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190733

0 1
S 3.851947 1.858063 -0.426545
O 3.389821 -1.896091 0.221932
O -3.848105 -1.782815 0.307033
O -3.027240 1.606865 0.089771
N -1.650497 -0.268725 0.245468
N 4.395954 0.218791 -0.191160
N -4.016897 -0.438369 0.621219
C 2.010500 0.076311 -0.015171
C -0.369817 0.347123 0.089461
C 2.151686 1.462083 -0.252831
C 0.754542 -0.498777 0.160268
C -0.224713 1.735735 -0.145482
C 1.038323 2.296335 -0.317487
C 3.347085 -0.556323 0.004273
C -2.881524 0.410459 0.258805
C -5.343726 0.104349 0.244753
C 4.719702 -2.500934 0.245174
C -3.958829 -2.149150 -1.101230
H 0.669309 -1.568259 0.346462
H -1.115435 2.377206 -0.188234
H 1.145927 3.366236 -0.497258
H -1.655991 -1.272209 0.477681
H -5.479666 0.282379 -0.832841
H -5.473869 1.074838 0.765249
H -6.124754 -0.588055 0.603623
H 4.479674 -3.552338 0.434754
H 5.313253 -2.059919 1.052796
H 5.209795 -2.355736 -0.723091
H -3.722309 -3.219889 -1.057727
H -3.233236 -1.611569 -1.714287
H -4.978511 -1.999613 -1.461778


%chk=000190733-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190733

0 1
S 4.032302 1.911611 -0.083525
O 3.309464 -1.939928 0.166864
O -3.690037 -1.720567 0.078599
O -3.076048 1.840730 0.016723
N -1.669281 -0.074002 0.007840
N 4.453221 0.138393 0.034892
N -4.005384 -0.294256 -0.140861
C 2.038615 0.147161 0.023679
C -0.371352 0.498032 -0.012177
C 2.247921 1.551227 -0.067946
C 0.732041 -0.384576 0.051497
C -0.154651 1.910186 -0.099784
C 1.151360 2.434952 -0.128917
C 3.313574 -0.561456 0.076367
C -2.893681 0.586525 -0.016850
C -5.320015 0.091104 0.393765
C 4.640444 -2.585189 0.219586
C -4.038721 -2.485372 -1.144580
H 0.596012 -1.469662 0.121841
H -1.022185 2.572284 -0.136782
H 1.297029 3.517428 -0.196100
H -1.743383 -1.093567 0.089674
H -6.122134 -0.388091 -0.192087
H -5.402004 1.184529 0.293182
H -5.421612 -0.189149 1.459851
H 4.425849 -3.660776 0.292693
H 5.203300 -2.227669 1.098877
H 5.214452 -2.351586 -0.693581
H -3.747813 -3.522839 -0.912767
H -3.480087 -2.104215 -2.017510
H -5.124796 -2.433260 -1.338862


