%chk=000063580.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063580

0 1
 O   -2.261500       2.732700     -0.4305000    
 N   -2.123200      0.4042000     -9.8300003E-02
 N   -4.141400     -0.8310000      0.2336000    
 N    4.299000     -0.1889000     -0.8200000    
 N    4.269800       1.267400      0.8587000    
 C  -0.6838000      0.4418000     -6.3699998E-02
 C   -2.849800     -0.7885000      0.1090000    
 C   -2.790500       1.635900     -0.2652000    
 C   -4.263700       1.580200     -0.1559000    
 C    2.092200      0.5135000      3.1000001E-03
 C   -4.872400      0.3554000      0.1185000    
 C    3.533900      0.5519000      3.7599999E-02
 C  -3.3300001E-02  0.6867000       1.138700    
 C   3.5500001E-02  0.2324000      -1.233100    
 C   -2.153200      -2.097600      0.1140000    
 C    1.360700      0.7226000       1.172300    
 C    1.429600      0.2685000      -1.199600    
 C    5.615700      6.5499999E-02 -0.5332000    
 C    5.571000      0.9772000      0.5179000    
 C   -5.031200       2.743400     -0.2932000    
 C   -6.264900      0.3058000      0.2542000    
 C   -1.942600      -2.771900      -1.083800    
 C   -1.714900      -2.639000       1.317700    
 C    6.805500     -0.4092000      -1.086100    
 C   -6.417200       2.679900     -0.1561000    
 C    6.775200       1.454300       1.062300    
 C   -7.034100       1.462100      0.1189000    
 C    7.994700      7.6300003E-02 -0.5321000    
 C    7.982100      0.9914000      0.5231000    
 C   -1.285700      -4.002400      -1.078000    
 C   -1.058000      -3.869500       1.323400    
 C  -0.8435000      -4.551200      0.1257000    
 H  -0.5954000      0.8492000       2.054300    
 H  -0.4726000      4.6100002E-02  -2.175400    
 H    1.857100      0.9121000       2.120900    
 H    1.968400      0.1150000      -2.131100    
 H    3.967400     -0.8255000      -1.532700    
 H   -4.569900       3.704500     -0.5027000    
 H   -6.760700     -0.6393000      0.4630000    
 H   -2.283500      -2.352100      -2.026400    
 H   -1.877300      -2.115100       2.255800    
 H    6.812700      -1.119600      -1.905000    
 H   -7.015200       3.580300     -0.2618000    
 H    6.776000       2.165400       1.882100    
 H   -8.113700       1.411500      0.2259000    
 H    8.946400     -0.2659000     -0.9311000    
 H    8.922700       1.350500      0.9327000    
 H   -1.118400      -4.532900      -2.010700    
 H  -0.7133000      -4.296500       2.260600    
 H  -0.3317000      -5.509100      0.1301000    


%chk=000063580-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063580

0 1
O -2.179592 2.710280 0.556243
N -2.154309 0.374014 0.196906
N -4.189748 -0.846961 -0.252916
N 4.390288 0.103412 -1.057660
N 4.361726 0.976482 1.051168
C -0.699736 0.406745 0.154969
C -2.885260 -0.830145 -0.004399
C -2.828288 1.656293 0.305143
C -4.277447 1.606793 0.049115
C 2.133356 0.481397 0.036061
C -4.901844 0.359791 -0.267663
C 3.599983 0.528641 0.027486
C 0.037453 0.956554 1.229801
C -0.028422 -0.079493 -0.989455
C -2.199730 -2.153683 0.101320
C 1.440659 0.989475 1.169743
C 1.377531 -0.049278 -1.044503
C 5.734425 0.290023 -0.710450
C 5.694220 0.839841 0.619455
C -5.040984 2.802969 0.075210
C -6.293423 0.333856 -0.565249
C -2.626640 -3.197147 -0.762265
C -1.209915 -2.430318 1.081980
C 6.943424 0.046068 -1.393327
C -6.413770 2.763634 -0.219280
C 6.900402 1.154621 1.288516
C -7.037741 1.524429 -0.542939
C 8.134083 0.367465 -0.706437
C 8.112951 0.912785 0.612269
C -2.052838 -4.481892 -0.670569
C -0.649058 -3.720840 1.181818
C -1.058802 -4.748302 0.300523
H -0.488247 1.363635 2.096870
H -0.604687 -0.484970 -1.826838
H 2.031566 1.406507 1.990326
H 1.869737 -0.446895 -1.939916
H 4.047145 -0.263098 -1.942582
H -4.529315 3.739304 0.320137
H -6.753279 -0.631470 -0.796828
H -3.418985 -2.984377 -1.486299
H -0.888969 -1.650555 1.778339
H 6.970901 -0.370919 -2.405496
H -7.006122 3.684405 -0.201015
H 6.877131 1.572813 2.299180
H -8.109070 1.500272 -0.770960
H 9.098331 0.195032 -1.197118
H 9.062520 1.147297 1.105318
H -2.384256 -5.275285 -1.349408
H 0.106267 -3.923561 1.948658
H -0.614624 -5.747143 0.375419


