%chk=000234517.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234517

0 1
O 2.422116 3.108604 0.516673
O 3.027552 1.579704 -0.867064
N 1.853496 -1.023069 -0.024830
N -2.740235 -0.295117 -0.252828
N -0.408777 -0.635549 -0.220232
N -1.396014 1.508345 0.489185
N 2.222098 2.044637 -0.060652
C 3.303813 -0.792557 0.229524
C 1.569429 -2.472328 -0.286919
C 3.901160 -2.190541 0.457136
C 2.926954 -3.186317 -0.197078
C -3.988835 0.477323 0.010278
C -3.005698 -1.679486 -0.736848
C -5.129269 -0.434287 -0.471593
C -4.532823 -1.843425 -0.661803
C 0.860036 -0.092587 -0.042061
C -1.491050 0.187630 -0.005153
C 1.013072 1.329183 0.185071
C -0.176050 2.050674 0.575206
C -0.114765 3.450485 1.074434
H 3.443673 -0.126611 1.105440
H 3.771148 -0.290083 -0.656138
H 1.091784 -2.589758 -1.283412
H 0.845146 -2.847850 0.469242
H 4.009640 -2.401230 1.536552
H 4.911623 -2.265952 0.019956
H 3.284032 -3.475312 -1.202504
H 2.852277 -4.118227 0.388169
H -3.955340 1.446816 -0.533107
H -4.063544 0.715705 1.094006
H -2.464325 -2.418173 -0.106876
H -2.617879 -1.788214 -1.773483
H -5.550175 -0.060704 -1.422859
H -5.960939 -0.448580 0.253301
H -4.813147 -2.499210 0.182334
H -4.927710 -2.322164 -1.574024
H -1.099999 3.836447 1.377279
H 0.570806 3.534808 1.937074
H 0.296822 4.135569 0.311706


%chk=000234517-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234517

0 1
O 2.595455 2.959668 0.826683
O 3.003505 1.623275 -0.982783
N 1.860392 -1.024846 -0.118735
N -2.735297 -0.309620 -0.184160
N -0.420712 -0.635438 -0.211922
N -1.410941 1.506997 0.467429
N 2.259539 1.984747 0.030006
C 3.269858 -0.822936 0.304516
C 1.580410 -2.454470 -0.443232
C 3.776797 -2.258875 0.567104
C 2.983094 -3.100572 -0.463700
C -3.979999 0.470776 0.032192
C -2.994035 -1.702703 -0.620423
C -5.069441 -0.430650 -0.596284
C -4.516247 -1.866504 -0.393983
C 0.839997 -0.114467 -0.060347
C -1.481901 0.193093 0.019929
C 1.000316 1.301855 0.226970
C -0.174625 2.059940 0.556967
C -0.139718 3.515210 0.963223
H 3.317514 -0.175800 1.199685
H 3.842928 -0.319077 -0.495943
H 1.036423 -2.527703 -1.399637
H 0.930627 -2.894882 0.337349
H 3.525091 -2.576815 1.595950
H 4.869360 -2.335494 0.439791
H 3.437731 -2.999420 -1.466128
H 2.945781 -4.173030 -0.209529
H -3.897513 1.465065 -0.436370
H -4.147127 0.629832 1.115425
H -2.375332 -2.406397 -0.037239
H -2.718126 -1.827486 -1.686329
H -5.167248 -0.209996 -1.675299
H -6.055087 -0.278394 -0.125701
H -4.710804 -2.206194 0.640006
H -4.961962 -2.601248 -1.085139
H -1.176642 3.873569 1.046280
H 0.385629 3.644930 1.924089
H 0.412410 4.132659 0.232390


