%chk=000197630.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197630

0 1
O -0.006901 0.585705 0.931160
O -1.110024 2.520404 -0.517800
O -0.153544 -0.735410 -0.922948
O 6.891002 -0.880052 -0.270914
O 6.776239 1.062240 0.677776
N -3.803033 3.299301 -0.349421
N -1.400630 0.737473 0.927707
N 6.274638 0.072331 0.174648
C -4.004761 0.920285 -0.971051
C -3.410753 1.927250 0.036736
C -4.093309 -0.467277 -0.400931
C -1.869569 1.771583 0.053008
C -3.169857 -1.452233 -0.780448
C -5.109487 -0.784279 0.514663
C -3.265621 -2.742369 -0.250534
C -5.198805 -2.074252 1.042596
C -4.277572 -3.055974 0.661421
C 2.026152 -0.080359 -0.037190
C 0.545457 -0.149536 -0.134540
C 2.781752 -1.148026 -0.547287
C 2.647495 1.039206 0.534165
C 4.788360 0.020687 0.099218
C 4.174406 -1.100191 -0.478401
C 4.041636 1.092794 0.604741
H -3.430043 0.930398 -1.920386
H -5.023771 1.273177 -1.261022
H -3.822556 1.726926 1.064664
H -2.370647 -1.220321 -1.489904
H -5.834243 -0.025910 0.808192
H -3.413961 3.555362 -1.256217
H -3.463659 3.981718 0.325092
H -2.548529 -3.504604 -0.554362
H -5.990467 -2.317050 1.750511
H -1.862254 -0.181127 0.924710
H -4.351622 -4.061639 1.071192
H 2.278860 -2.006881 -1.002258
H 2.038880 1.865869 0.920103
H 4.787639 -1.920767 -0.869604
H 4.550401 1.957847 1.047115


%chk=000197630-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197630

0 1
O -0.051411 0.580456 0.945873
O -1.091803 2.656968 -0.588528
O -0.071645 -0.393729 -1.206434
O 6.979933 -0.688088 -0.661022
O 6.862242 0.550226 1.251364
N -3.838688 3.240619 -0.778853
N -1.474041 0.815502 0.795167
N 6.320637 -0.053981 0.248636
C -3.981382 0.773435 -1.085759
C -3.446739 1.952009 -0.198455
C -4.087032 -0.561891 -0.361431
C -1.889931 1.853236 -0.036400
C -3.190918 -1.630110 -0.633193
C -5.104896 -0.763049 0.610909
C -3.311503 -2.865434 0.047134
C -5.224918 -1.993672 1.292804
C -4.327159 -3.051496 1.012374
C 2.053005 0.038536 -0.072149
C 0.571681 0.038386 -0.233362
C 2.820850 -0.642914 -1.053169
C 2.692293 0.697335 1.010882
C 4.835525 -0.019974 0.134868
C 4.222977 -0.677141 -0.954637
C 4.095114 0.670214 1.118845
H -3.347626 0.680256 -1.987140
H -4.981878 1.107162 -1.415342
H -3.914137 1.868893 0.800550
H -2.395344 -1.489925 -1.373988
H -5.815520 0.046543 0.821423
H -3.324217 3.440353 -1.647295
H -3.719551 4.023352 -0.124575
H -2.614608 -3.679707 -0.180669
H -6.020319 -2.131883 2.033741
H -2.044775 -0.021201 0.974831
H -4.422613 -4.008972 1.536199
H 2.303896 -1.133090 -1.883746
H 2.088583 1.229718 1.749412
H 4.842841 -1.192825 -1.692126
H 4.620374 1.168183 1.937461


