%chk=000233043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233043

0 1
O -2.339310 0.006958 -0.583464
O 2.984803 -0.676752 1.007482
N 1.520677 0.407003 -0.423298
N 3.701693 -0.247644 -1.155129
C 0.387347 0.243941 0.542060
C -0.540731 1.416728 0.334573
C -0.323997 -1.072706 0.328932
C -1.819011 1.245410 -0.215932
C -1.608922 -1.127246 -0.225579
C -0.144140 2.720205 0.671759
C 0.288376 -2.287124 0.677155
C -2.696319 2.317066 -0.447539
C -2.285069 -2.333038 -0.468023
C -0.999661 3.800834 0.453658
C -0.363814 -3.499304 0.450336
C -2.269700 3.598529 -0.107302
C -1.643226 -3.521237 -0.125305
C 2.757711 -0.208348 -0.100707
C 5.101337 -0.574017 -0.794091
H 0.820282 0.269076 1.585683
H 1.233981 0.468357 -1.400229
H 0.846784 2.881484 1.100595
H 1.289730 -2.270484 1.125546
H -3.677643 2.130824 -0.878085
H -3.280192 -2.320042 -0.905874
H -0.681391 4.806808 0.719573
H 0.122571 -4.434324 0.722092
H -2.929733 4.449926 -0.275568
H -2.142024 -4.474471 -0.301759
H 3.611335 0.408902 -1.927196
H 5.563456 -1.129033 -1.627433
H 5.124233 -1.225888 0.103142
H 5.705467 0.319705 -0.572370


%chk=000233043-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233043

0 1
O -2.473237 -0.009193 -0.475533
O 3.089353 -0.319922 1.188143
N 1.516998 0.150872 -0.480955
N 3.802094 0.004107 -1.021956
C 0.364638 0.091182 0.451335
C -0.519570 1.322900 0.285143
C -0.432009 -1.201905 0.280830
C -1.853729 1.225138 -0.178552
C -1.765583 -1.200942 -0.190248
C -0.012447 2.615140 0.570209
C 0.168019 -2.453223 0.568980
C -2.658694 2.369961 -0.374082
C -2.483492 -2.399064 -0.399164
C -0.800338 3.769225 0.389848
C -0.532909 -3.660509 0.376242
C -2.129008 3.642830 -0.090092
C -1.862304 -3.630892 -0.116617
C 2.822298 -0.071723 -0.032936
C 5.218347 -0.207061 -0.710422
H 0.841191 0.093232 1.450648
H 1.312774 0.268958 -1.474980
H 1.019598 2.700845 0.930305
H 1.198289 -2.460400 0.944264
H -3.682276 2.239196 -0.737650
H -3.511590 -2.342683 -0.769167
H -0.389250 4.757498 0.619974
H -0.052761 -4.616820 0.607928
H -2.749844 4.533253 -0.236518
H -2.414050 -4.564192 -0.272634
H 3.540224 0.238444 -1.979712
H 5.637208 -1.056733 -1.281916
H 5.286182 -0.434960 0.365412
H 5.820779 0.697536 -0.918425


