%chk=000038997.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038997

0 1
 O   -1.279100       4.255300     -0.2075000    
 N  -0.2012000     -0.4648000      0.4634000    
 N    3.511500     -0.4721000      4.2399999E-02
 C    1.198400     -0.4331000      0.8387000    
 C  -0.9562000      0.6466000      0.1711000    
 C  -0.9544000      -1.609900      0.3547000    
 C    2.116600     -0.5332000     -0.3759000    
 C   -2.242400      0.2026000     -0.1373000    
 C   -2.241100      -1.223800     -2.1400001E-02
 C  -0.5988000       1.999700      0.1573000    
 C    3.788500      0.7894000      0.7323000    
 C    4.402900     -0.6266000      -1.108800    
 C  -0.5948000      -2.946900      0.5598000    
 C   -3.222400       1.158800     -0.4772000    
 C   -3.219600      -2.224000     -0.2025000    
 C   -1.587100       2.927600     -0.1819000    
 C   -2.880100       2.515600     -0.4951000    
 C   -1.581400      -3.919100      0.3747000    
 C   -2.875000      -3.565300     -1.0000000E-03
 C    5.222200      0.8383000       1.232600    
 C    4.133200      -1.930400      -1.840800    
 C   6.0500000E-02   4.615300      0.1223000    
 H    1.316100      0.4861000       1.415800    
 H    1.383600      -1.254300       1.541200    
 H    1.883500      -1.487200     -0.8602000    
 H    1.881700      0.2593000      -1.099200    
 H   0.4203000       2.269800      0.4000000    
 H    3.583600       1.660300      9.7199999E-02
 H    3.189600      0.8924000       1.639800    
 H    4.316900      0.2134000      -1.809600    
 H    5.446700     -0.6812000     -0.7830000    
 H   0.4103000      -3.236000      0.8475000    
 H   -4.235300      0.8530000     -0.7238000    
 H   -4.232900      -1.963900     -0.4952000    
 H   -3.637600       3.250100     -0.7575000    
 H   -1.333800      -4.966800      0.5250000    
 H   -3.626300      -4.338200     -0.1398000    
 H    5.498100     -7.7500001E-02   1.766800    
 H    5.941400       1.010600      0.4260000    
 H    5.338200       1.672000       1.934600    
 H    4.064900      -2.779200      -1.151600    
 H    3.225200      -1.889200      -2.450400    
 H    4.958800      -2.139000      -2.531000    
 H   0.7775000       4.207200     -0.5983000    
 H   0.3086000       4.346400       1.154900    
 H   0.1275000       5.706200      5.3599998E-02


%chk=000038997-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038997

0 1
O -1.559244 4.395628 0.269612
N -0.182721 -0.426066 0.406957
N 3.576502 -0.333528 -0.192301
C 1.249767 -0.404548 0.716301
C -1.011065 0.698925 0.236005
C -0.940850 -1.587065 0.144801
C 2.140426 -0.374184 -0.554686
C -2.329883 0.256948 -0.120858
C -2.288011 -1.198101 -0.180219
C -0.682794 2.066917 0.381290
C 4.075103 1.051649 0.025884
C 4.444177 -1.136626 -1.095510
C -0.542620 -2.940214 0.177999
C -3.342524 1.223747 -0.332631
C -3.245370 -2.196946 -0.473056
C -1.722038 3.001854 0.163872
C -3.040590 2.588020 -0.190522
C -1.518079 -3.918739 -0.117565
C -2.854789 -3.553462 -0.440072
C 5.278350 1.118423 0.985876
C 4.296732 -2.653620 -0.872111
C -0.234664 4.896644 0.632602
H 1.465453 0.474037 1.350850
H 1.512474 -1.296420 1.311293
H 1.935490 -1.286344 -1.142435
H 1.839719 0.489638 -1.194478
H 0.328935 2.383791 0.647616
H 4.335254 1.547419 -0.943903
H 3.246717 1.642669 0.461867
H 4.253232 -0.891321 -2.170750
H 5.492697 -0.853204 -0.891713
H 0.483488 -3.233661 0.425056
H -4.358190 0.917360 -0.605357
H -4.277143 -1.924656 -0.722289
H -3.796943 3.362443 -0.346379
H -1.238716 -4.978283 -0.098473
H -3.586675 -4.336830 -0.665359
H 5.010273 0.678986 1.962328
H 6.150662 0.565533 0.593207
H 5.591832 2.167838 1.140781
H 4.544662 -2.909535 0.172713
H 3.267255 -3.001886 -1.075093
H 4.974098 -3.211078 -1.545542
H 0.525346 4.614384 -0.123085
H 0.078772 4.526306 1.628943
H -0.337707 5.991459 0.661234


