%chk=000064214.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064214

1 1
 O  -0.9254000      -1.026400     -0.1912000    
 N   0.1458000      0.9152000      0.4959000    
 N   -3.391000      0.3709000     -0.2987000    
 C    1.495100      0.4493000      0.2554000    
 C    3.105900     -0.4106000      -1.492800    
 C    3.945700       1.057700      0.3769000    
 C    3.211500      -1.305300      0.8623000    
 C    1.672100      8.8100001E-02  -1.235700    
 C    2.509600       1.552300      0.6289000    
 C    1.777400     -0.8047000       1.113300    
 C    4.103000      0.6963000      -1.109900    
 C    3.372300      -1.653900     -0.6272000    
 C    4.207700     -0.1934000       1.232800    
 C  -0.9603000      0.1205000      0.2462000    
 C   -2.242600      0.8399000      0.5816000    
 C   -3.628900      -1.141200     -0.1087000    
 C   -4.707900       1.058200      0.1171000    
 C   -5.128300      -1.274600      7.0799999E-02
 C   -5.493800     -2.1199999E-02  0.8349000    
 C   -3.067800      0.6828000      -1.751800    
 H    3.225000     -0.6642000      -2.552100    
 H    4.659700       1.844800      0.6440000    
 H    3.405600      -2.193500       1.473800    
 H   0.9757000     -0.6911000      -1.562500    
 H    1.465200      0.9647000      -1.863900    
 H    2.393300       1.836600       1.683000    
 H    2.319600       2.460100      4.1299999E-02
 H    1.646600     -0.5711000       2.178400    
 H    1.086600      -1.625500      0.8947000    
 H    5.128600      0.3606000      -1.306900    
 H    3.933700       1.584300      -1.731200    
 H    2.677100      -2.457000     -0.9012000    
 H    4.384900      -2.031100     -0.8159000    
 H    5.235200     -0.5446000       1.077300    
 H    4.113600      5.4499999E-02   2.297100    
 H   1.5200000E-02   1.850300      0.8713000    
 H   -2.143700       1.921500      0.4351000    
 H   -2.509100      0.6385000       1.625200    
 H   -3.127200      -1.466400      0.8096000    
 H   -3.255400      -1.696100     -0.9747000    
 H   -5.226600       1.380600     -0.7926000    
 H   -4.490600       1.928500      0.7437000    
 H   -5.400500      -2.187400      0.6083000    
 H   -5.630300      -1.290500     -0.9039000    
 H   -6.569400      0.1767000      0.8252000    
 H   -5.170400     -9.9299997E-02   1.879600    
 H   -3.913300      0.3598000      -2.367400    
 H   -2.922700       1.763100      -1.846800    
 H   -2.169000      0.1445000      -2.060800    


%chk=000064214-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064214

1 1
O -0.968154 -0.757116 -1.092042
N 0.116505 0.871540 0.201345
N -3.543682 0.311033 -0.499041
C 1.535002 0.375272 0.101139
C 3.495515 -0.089749 -1.435352
C 3.899566 0.906037 0.859873
C 3.147568 -1.505276 0.640788
C 2.010731 0.368495 -1.380233
C 2.414770 1.360984 0.918683
C 1.661200 -1.052790 0.705599
C 4.374250 0.894881 -0.618491
C 3.617790 -1.518080 -0.839493
C 4.025452 -0.520755 1.458790
C -0.971677 0.310705 -0.399550
C -2.283554 1.123533 -0.185533
C -3.564559 -1.040744 0.294091
C -4.811785 1.095671 -0.006052
C -4.992737 -1.154785 0.845348
C -5.344214 0.308552 1.203292
C -3.652278 0.054379 -2.005126
H 3.824968 -0.097157 -2.491655
H 4.513238 1.615292 1.446560
H 3.228131 -2.522786 1.068136
H 1.376058 -0.314374 -1.973183
H 1.909186 1.386971 -1.805364
H 2.073410 1.386232 1.974658
H 2.320707 2.385501 0.502303
H 1.311476 -1.040256 1.757482
H 1.020702 -1.753132 0.140294
H 5.436073 0.587018 -0.669129
H 4.311027 1.913566 -1.050499
H 3.007650 -2.231128 -1.427931
H 4.668307 -1.861998 -0.897787
H 5.083339 -0.845084 1.433370
H 3.712502 -0.519796 2.522022
H -0.012910 1.723523 0.757472
H -2.294874 2.009187 -0.846449
H -2.371602 1.463843 0.861502
H -2.828206 -0.948072 1.109113
H -3.234776 -1.841275 -0.380909
H -5.533150 1.085289 -0.838553
H -4.524291 2.137140 0.205482
H -5.026497 -1.827238 1.717345
H -5.689558 -1.556500 0.087535
H -6.425602 0.471978 1.335882
H -4.841246 0.614517 2.138350
H -4.539582 -0.571374 -2.186553
H -3.765694 1.020915 -2.521848
H -2.736999 -0.461388 -2.327885


