%chk=000050938.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050938

0 1
 O  -0.9278000       2.384100      0.6878000    
 N    2.647500      0.3287000     -0.3181000    
 C   0.2413000      0.3279000      0.2171000    
 C    1.452900       1.163600     -0.1947000    
 C   8.3999997E-03 -0.7940000     -0.7949000    
 C   -1.220000      -1.641800     -0.4456000    
 C    2.965700     -0.3068000      0.9683000    
 C    3.780700       1.122900     -0.8130000    
 C    4.184400      -1.222900      0.8450000    
 C    5.026000      0.2537000     -0.9944000    
 C  -0.9974000       1.205900      0.3470000    
 C    5.391000     -0.4694000      0.2971000    
 C   -2.436300     -0.7623000     -0.2652000    
 C   -2.328900      0.5857000      0.1115000    
 C  -0.9919000      -2.516200      0.7907000    
 C   -3.714500      -1.308400     -0.4678000    
 C   -3.480900       1.367800      0.2719000    
 C   -4.858800     -0.5277000     -0.3058000    
 C   -4.741400      0.8092000      6.2799998E-02
 H   0.3739000     -7.7799998E-02   1.225300    
 H    1.619200       1.972400      0.5299000    
 H    1.238300       1.649400      -1.156300    
 H   0.8778000      -1.457200     -0.8716000    
 H  -0.1395000     -0.3568000      -1.792900    
 H   -1.397600      -2.308400      -1.300700    
 H    2.159700     -0.9560000       1.320100    
 H    3.147100      0.4473000       1.745400    
 H    4.006900       1.950600     -0.1278000    
 H    3.529200       1.564000      -1.785100    
 H    3.946800      -2.064200      0.1813000    
 H    4.429500      -1.648200       1.824800    
 H    5.867400      0.8757000      -1.320100    
 H    4.847100     -0.4833000      -1.787700    
 H    5.735400      0.2602000       1.040300    
 H    6.219300      -1.163800      0.1187000    
 H  -8.6099997E-02  -3.121200      0.6770000    
 H  -0.8934000      -1.922700       1.705800    
 H   -1.831700      -3.203600      0.9421000    
 H   -3.824600      -2.351300     -0.7559000    
 H   -3.418400       2.413600      0.5609000    
 H   -5.840500     -0.9632000     -0.4672000    
 H   -5.632100       1.417800      0.1889000    


%chk=000050938-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050938

0 1
O -0.919948 2.330465 0.892525
N 2.700237 0.309809 -0.127711
C 0.200207 0.277002 0.164110
C 1.461945 1.131559 -0.116022
C -0.070551 -0.749168 -0.959674
C -1.306693 -1.633734 -0.672494
C 3.184513 -0.001404 1.242022
C 3.778201 0.918758 -0.950043
C 4.378192 -0.977301 1.205200
C 4.991823 -0.026578 -1.061355
C -1.031417 1.152108 0.434689
C 5.523911 -0.405657 0.339898
C -2.525867 -0.764728 -0.365845
C -2.380680 0.551832 0.167715
C -1.055166 -2.653115 0.476676
C -3.833083 -1.263359 -0.588780
C -3.533323 1.329168 0.468595
C -4.972760 -0.487994 -0.287509
C -4.823503 0.816885 0.246990
H 0.371667 -0.285440 1.108840
H 1.510431 1.962685 0.624360
H 1.350130 1.599139 -1.113711
H 0.835609 -1.368767 -1.087539
H -0.228932 -0.199921 -1.910661
H -1.529475 -2.224463 -1.584301
H 2.355318 -0.446371 1.823245
H 3.490362 0.937655 1.776769
H 4.117335 1.897638 -0.516452
H 3.368800 1.130482 -1.955675
H 4.037808 -1.941317 0.779324
H 4.727332 -1.170482 2.237998
H 5.784086 0.461360 -1.661516
H 4.679159 -0.943130 -1.598619
H 5.940002 0.498318 0.831557
H 6.350323 -1.136780 0.256343
H -0.179264 -3.285866 0.242966
H -0.867480 -2.145630 1.440052
H -1.930990 -3.311843 0.616991
H -3.955804 -2.268859 -1.010334
H -3.377728 2.333715 0.876215
H -5.974145 -0.893786 -0.471781
H -5.706880 1.420418 0.481840


