%chk=000197321.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197321

0 1
O -5.231884 -0.369191 -0.393800
O -1.750586 0.492568 -0.948134
O -1.510972 1.769040 0.905603
O 5.206745 -0.271014 0.768313
O 4.798898 -1.427691 -1.015225
N 4.467650 -0.683721 -0.108366
C -3.941767 0.150588 0.052447
C -4.191656 -1.338795 -0.029085
C -3.160683 0.857102 -1.032545
C -4.446758 -2.135036 1.213456
C -1.016231 1.031954 0.086214
C 0.398503 0.568966 0.006527
C 1.289669 1.017368 0.994359
C 0.830802 -0.284439 -1.018508
C 3.045677 -0.244860 -0.068187
C 2.623898 0.609457 0.960014
C 2.164129 -0.696788 -1.059550
H -3.972188 0.665242 1.020245
H -3.811603 -1.899106 -0.890153
H -3.254340 1.956907 -0.963151
H -3.420475 0.510549 -2.052231
H -4.970685 -3.074727 0.987273
H -3.509318 -2.388740 1.725961
H -5.080644 -1.590139 1.929606
H 0.932664 1.685748 1.786228
H 0.121882 -0.622731 -1.781865
H 3.337310 0.947465 1.720998
H 2.524362 -1.363476 -1.851840


%chk=000197321-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197321

0 1
O -5.413489 -0.125989 -0.210806
O -1.720134 0.371728 -0.911625
O -1.389486 1.839919 0.872153
O 5.413358 -0.033800 0.770551
O 4.993033 -1.428863 -0.984696
N 4.622254 -0.570144 -0.095895
C -3.955794 0.078951 0.141972
C -4.476445 -1.314035 -0.047386
C -3.162957 0.772931 -0.948274
C -4.760062 -2.232353 1.119772
C -0.935044 1.004155 0.053490
C 0.495036 0.570665 -0.017357
C 1.403781 1.137446 0.914030
C 0.948640 -0.372909 -0.975618
C 3.187362 -0.172604 -0.068058
C 2.760746 0.768216 0.894886
C 2.304197 -0.750528 -1.006000
H -3.792776 0.442887 1.163750
H -4.253747 -1.800458 -1.008432
H -3.226911 1.870226 -0.847180
H -3.507106 0.451602 -1.943044
H -5.621495 -2.888296 0.901984
H -3.882905 -2.873688 1.326582
H -4.992108 -1.651223 2.028583
H 1.026292 1.863253 1.640803
H 0.236451 -0.798233 -1.686822
H 3.484766 1.186636 1.598351
H 2.686942 -1.472993 -1.731110


