%chk=000003501.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003501

0 1
 O   -3.008200       3.340000     -0.4213000    
 N    1.554300      -1.256800      0.6065000    
 N   -1.186700      -1.753200      0.4794000    
 N  -0.8209000       4.190000     -0.3874000    
 N    1.348600      -1.490400      -3.141800    
 C   0.6725000     -0.2537000      0.3904000    
 C    1.079500       1.107500      0.2157000    
 C  -0.7009000     -0.5013000      0.3265000    
 C   -1.541600      0.6369000      9.3500003E-02
 C   0.2670000       2.218100     -1.1300000E-02
 C   -1.104300       1.951600     -7.2200000E-02
 C    2.513500      0.8372000      0.3624000    
 C    2.753400     -0.5580000      0.5900000    
 C   -2.799000     -0.1264000      0.1167000    
 C   0.5236000       3.673600     -0.2106000    
 C   -2.547500      -1.521800      0.3454000    
 C   -1.804800       3.207800     -0.3124000    
 C    1.532500      -2.639300      0.1674000    
 C    3.635600       1.698100      0.3160000    
 C  -0.7311000      -2.842400       1.322700    
 C    4.051600      -1.060800      0.7617000    
 C   -4.150000      0.2670000     -4.1200001E-02
 C   -3.589200      -2.459700      0.4113000    
 C    2.311300      -2.879800      -1.126500    
 C    4.925200       1.185900      0.4883000    
 C    5.127500     -0.1719000      0.7075000    
 C   -5.181100     -0.6764000      2.6400000E-02
 C   -4.903000      -2.018400      0.2494000    
 C    1.772300      -2.103300      -2.252400    
 H   0.9725000       4.142100      0.6685000    
 H    1.104200       3.874700      -1.114000    
 H    1.882100      -3.290000      0.9732000    
 H   0.5845000      -2.921600     -0.2498000    
 H   -1.025500       5.170900     -0.5498000    
 H    3.503100       2.763500      0.1464000    
 H   -1.534100      -3.026400       2.053100    
 H  -0.6626000      -3.789300      0.7802000    
 H   8.6400002E-02  -2.571900       1.990000    
 H    4.234400      -2.110900      0.9696000    
 H   -4.408700       1.306100     -0.2170000    
 H   -3.391500      -3.515200      0.5739000    
 H    2.227000      -3.945900      -1.378300    
 H    3.384000      -2.700500      -1.036900    
 H    5.777800       1.858900      0.4520000    
 H    6.137800     -0.5481000      0.8472000    
 H   -6.211200     -0.3528000     -9.7900003E-02
 H   -5.717900      -2.736200      0.2961000    


%chk=000003501-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003501

0 1
O -3.011756 3.246547 -0.649594
N 1.814103 -1.300467 0.511705
N -1.455926 -1.828887 0.643917
N -0.778950 3.990645 -0.424796
N 0.978422 -1.774013 -3.325973
C 0.699214 -0.419478 0.385306
C 1.191055 0.930310 0.292863
C -0.700010 -0.658117 0.385769
C -1.606164 0.419600 0.066066
C 0.288598 1.985862 0.044214
C -1.088073 1.730476 -0.114550
C 2.637319 0.875994 0.446130
C 2.990101 -0.507849 0.575308
C -2.948931 -0.140501 0.067597
C 0.564964 3.468453 -0.142071
C -2.819922 -1.521723 0.433838
C -1.786406 3.016550 -0.426096
C 1.878865 -2.689541 0.027780
C 3.655950 1.858269 0.482438
C -1.057470 -2.966921 1.484852
C 4.328774 -0.924989 0.726545
C -4.235851 0.400686 -0.179268
C -3.939901 -2.366712 0.579965
C 2.493148 -2.826238 -1.403086
C 4.997643 1.449529 0.640366
C 5.329290 0.072604 0.761554
C -5.357711 -0.443076 -0.047100
C -5.212376 -1.807933 0.330107
C 1.655255 -2.238332 -2.460264
H 0.999326 3.926798 0.770464
H 1.264529 3.657365 -0.982252
H 2.496250 -3.291555 0.720577
H 0.870090 -3.118465 0.015293
H -0.983532 4.968368 -0.623569
H 3.414716 2.922552 0.392099
H -1.815696 -3.119861 2.274387
H -0.971664 -3.908968 0.909402
H -0.098901 -2.753414 1.982709
H 4.597419 -1.981028 0.841376
H -4.330294 1.454755 -0.458230
H -3.836726 -3.421433 0.855997
H 2.633747 -3.902498 -1.621862
H 3.490641 -2.351241 -1.431527
H 5.795140 2.199363 0.672654
H 6.376789 -0.221161 0.890307
H -6.359468 -0.043040 -0.237242
H -6.103221 -2.439786 0.422494


