%chk=000134422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134422

0 1
 O   0.1286000     -0.3382000       1.831400    
 N   -2.091100      -1.432700       1.295900    
 C   4.5899998E-02 -0.6857000      0.4358000    
 C   0.1643000      0.7181000     -0.3671000    
 C    1.155900      -1.713500      0.1036000    
 C    1.395300       1.541400     -0.1900000    
 C   -1.132800       1.563400     -0.2500000    
 C   -1.319300      -1.372900      0.2150000    
 C    1.614100      -1.767500      -1.183400    
 C    1.615100      -2.509500       1.115600    
 C    1.845500       2.355500      -1.229400    
 C   -2.100300       1.378800      -1.195500    
 C    2.096600       1.497100       1.014900    
 C   -1.228400       2.441300      0.7913000    
 C   -1.591900      -1.838700      -1.034500    
 C    2.613400      -2.693500      -1.482800    
 C    2.614500      -3.435500      0.8164000    
 C    2.997000       3.125200      -1.064000    
 C   -3.265500       2.138500      -1.090600    
 C    3.247900       2.266900       1.180400    
 C   -2.393500       3.200900      0.8964000    
 C   -2.828800      -2.451700      -1.200100    
 C    3.113700      -3.527300     -0.4829000    
 C    3.698100       3.080900      0.1410000    
 C   -3.412000       3.049600     -4.4700000E-02
 C   -3.284800      -2.035100       1.096700    
 C   -3.697300      -2.555900     -0.1192000    
 H   0.1802000      0.4450000      -1.430800    
 H  -0.7495000     -5.3800002E-02   2.136400    
 H    1.257000      -1.148100      -1.994800    
 H    1.232400      -2.465600       2.129400    
 H    1.310000       2.401800      -2.174100    
 H   -1.988800      0.7012000      -2.033900    
 H    1.820800      0.9096000       1.874800    
 H  -0.4596000       2.563900       1.544800    
 H  -0.9405000      -1.740700      -1.890600    
 H    3.001400      -2.766600      -2.494700    
 H    3.001800      -4.087400       1.594000    
 H    3.347300       3.759300      -1.873100    
 H   -4.055400       2.025900      -1.827400    
 H    3.793800       2.235500       2.119000    
 H   -2.509600       3.907500       1.713000    
 H   -3.118800      -2.841300      -2.171300    
 H    3.890900      -4.249100     -0.7162000    
 H    4.594300       3.680700      0.2702000    
 H   -4.318900       3.641700      3.6600001E-02
 H   -3.925700      -2.089900       1.970600    
 H   -4.667300      -3.027800     -0.2258000    


%chk=000134422-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134422

0 1
O -0.085611 -0.334799 1.839418
N -2.237174 -1.408611 1.071445
C -0.008954 -0.647968 0.417599
C 0.057806 0.685973 -0.441954
C 1.191064 -1.586939 0.166010
C 1.376739 1.457049 -0.300997
C -1.158658 1.583565 -0.169683
C -1.324259 -1.397414 0.057874
C 1.820627 -1.695895 -1.099927
C 1.641284 -2.416395 1.222457
C 1.873849 2.154685 -1.431996
C -2.209554 1.662221 -1.118329
C 2.094111 1.546570 0.919817
C -1.264771 2.344310 1.023482
C -1.586578 -2.010360 -1.188262
C 2.871167 -2.617293 -1.305232
C 2.689852 -3.339416 1.018547
C 3.055794 2.923107 -1.354058
C -3.342712 2.474492 -0.885512
C 3.279391 2.310831 0.998217
C -2.397252 3.153093 1.261160
C -2.837607 -2.631306 -1.387642
C 3.308269 -3.447772 -0.248500
C 3.765658 3.004181 -0.133751
C -3.441762 3.222469 0.309422
C -3.443069 -2.010287 0.879530
C -3.789183 -2.629853 -0.339621
H -0.022019 0.368596 -1.501070
H -1.047752 -0.557681 2.086427
H 1.524351 -1.044310 -1.929520
H 1.171892 -2.306501 2.204235
H 1.323670 2.103166 -2.380954
H -2.140412 1.084950 -2.049620
H 1.722324 1.006056 1.795431
H -0.456529 2.304483 1.758858
H -0.823430 -2.022431 -1.971717
H 3.354228 -2.678488 -2.287125
H 3.027762 -3.969755 1.849173
H 3.422086 3.454551 -2.240052
H -4.141597 2.525340 -1.634371
H 3.825287 2.364025 1.947419
H -2.463121 3.734835 2.187897
H -3.066361 -3.116228 -2.342594
H 4.125314 -4.160553 -0.407570
H 4.685153 3.597013 -0.067738
H -4.316754 3.856359 0.493541
H -4.137673 -1.988154 1.725660
H -4.768888 -3.101807 -0.459525


