%chk=000092112.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092112

0 1
 O  -0.5329000       3.133900      7.8699999E-02
 N    1.787500      -1.885600     -0.2812000    
 N  -0.6705000      0.8860000     -0.2331000    
 C    2.200400      0.6303000     -0.1586000    
 C    1.362200     -0.5354000     -0.7349000    
 C    2.352600      0.4876000       1.373700    
 C  -9.0899996E-02 -0.3312000     -0.4655000    
 C    1.516400       1.974300     -0.5157000    
 C    3.602900      0.6327000     -0.8126000    
 C    2.822300     -0.9113000       1.768400    
 C    1.918300      -1.993600       1.180100    
 C   0.8706000      -2.924300     -0.8212000    
 C   -1.021300      -1.333200     -0.3559000    
 C  -0.6255000      -2.768400     -0.4327000    
 C   4.4799998E-02   2.086800     -0.1714000    
 C   -2.269100     -0.7116000     -0.1072000    
 C   -2.037100      0.6747000     -3.9600000E-02
 C    4.441900       1.763600     -0.2694000    
 C   -3.577300      -1.202200      8.7099999E-02
 C   -3.092100       1.573000      0.2026000    
 C   -4.622200     -0.3068000      0.3268000    
 C   -4.380900       1.060700      0.3813000    
 H    1.477100     -0.5161000      -1.829200    
 H    1.377500      0.6510000       1.852700    
 H    3.000100       1.246500       1.820100    
 H    1.599100       2.174000      -1.592000    
 H    1.994600       2.804300      1.6500000E-02
 H    3.509900      0.7510000      -1.900000    
 H    4.126000     -0.3170000     -0.6570000    
 H    3.858200      -1.071800       1.448900    
 H    2.821000     -0.9969000       2.861600    
 H    2.348500      -2.970800       1.430900    
 H   0.9447000      -1.940800       1.682000    
 H    1.221200      -3.923200     -0.5331000    
 H   0.9487000      -2.897100      -1.916800    
 H  -0.7954000      -3.231600      0.5468000    
 H   -1.250100      -3.297500      -1.161100    
 H    4.014100       2.755200     -0.4289000    
 H    4.704700       1.645400      0.7840000    
 H    5.399100       1.768600     -0.8061000    
 H   -3.778800      -2.269200      4.8599999E-02
 H   -2.931900       2.644300      0.2544000    
 H   -5.630600     -0.6843000      0.4725000    
 H   -5.205100       1.744200      0.5691000    


%chk=000092112-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000092112

0 1
O -0.552708 3.230952 0.016192
N 1.803073 -1.853874 -0.268997
N -0.712023 0.919668 -0.291593
C 2.207549 0.681362 -0.174209
C 1.387075 -0.505144 -0.775126
C 2.235811 0.549117 1.375758
C -0.090839 -0.336807 -0.532355
C 1.493007 2.003979 -0.595798
C 3.638588 0.644367 -0.798812
C 2.738458 -0.843531 1.816284
C 1.842351 -1.944375 1.217957
C 0.933589 -2.901722 -0.881356
C -1.011613 -1.357728 -0.413031
C -0.592318 -2.805182 -0.509049
C 0.004816 2.130847 -0.249565
C -2.297527 -0.741818 -0.091188
C -2.092180 0.680351 -0.020008
C 4.658450 1.650860 -0.225362
C -3.591489 -1.263695 0.144224
C -3.130916 1.582484 0.274270
C -4.642332 -0.367709 0.440990
C -4.414521 1.034208 0.504613
H 1.585813 -0.514680 -1.869321
H 1.213361 0.703251 1.778022
H 2.862734 1.349697 1.809654
H 1.578339 2.127151 -1.696854
H 1.987487 2.879509 -0.141349
H 3.533655 0.824068 -1.889391
H 4.034006 -0.383612 -0.699112
H 3.784567 -0.997992 1.491809
H 2.719993 -0.922493 2.919725
H 2.234723 -2.946523 1.475223
H 0.826367 -1.854831 1.674962
H 1.324935 -3.893134 -0.587944
H 1.041135 -2.813265 -1.979307
H -0.793478 -3.317462 0.454166
H -1.179139 -3.350194 -1.274650
H 4.305622 2.695715 -0.305569
H 4.883136 1.449985 0.837743
H 5.612430 1.582972 -0.779651
H -3.776290 -2.342519 0.096155
H -2.941755 2.656657 0.324382
H -5.650424 -0.756080 0.624566
H -5.248818 1.705371 0.736503


