%chk=000158943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158943

0 1
 O   0.1002000      0.4579000      0.2247000    
 N   -1.973000     -7.6800004E-02   1.179500    
 N   -1.837300      0.9037000     -0.9662000    
 C    2.434500      0.4185000     -0.4429000    
 C   0.9677000      0.3516000     -0.9029000    
 C    2.810600     -0.8124000      0.3956000    
 C    1.055200      -2.190900     -0.8093000    
 C   0.6774000     -0.9568000      -1.644400    
 C    2.517200      -2.112500     -0.3514000    
 C    2.723400       1.699400      0.3418000    
 C   0.8077000      -3.473400      -1.602300    
 C    4.198600       1.769200      0.7266000    
 C    2.319700       2.926600     -0.4709000    
 C   -1.274200      0.4435000      0.1080000    
 C   -1.347800     -0.5908000       2.376600    
 C   -3.293400      0.8589000      -1.023700    
 C   -2.207100      -1.709300       2.951000    
 C   -1.165000      0.5399000       3.380700    
 C   -3.790800       2.029900      -1.858000    
 C   -3.723600     -0.4762000      -1.612600    
 H    3.062800      0.4088000      -1.345600    
 H   0.7493000       1.174900      -1.591900    
 H    2.265800     -0.8078000       1.348000    
 H    3.878300     -0.8188000      0.6362000    
 H   0.4147000      -2.224500      8.1100002E-02
 H    1.251400     -0.9644000      -2.580500    
 H  -0.3775000      -1.031300      -1.928800    
 H    3.184500      -2.187700      -1.219700    
 H    2.749400      -2.963300      0.3004000    
 H    2.141800       1.712300       1.272900    
 H    1.419900      -3.505700      -2.509900    
 H    1.049000      -4.355200     -0.9993000    
 H  -0.2436000      -3.548700      -1.899700    
 H    4.850200       1.604700     -0.1383000    
 H    4.442800       2.754300       1.140500    
 H    4.456000       1.042000       1.502200    
 H    2.754100       2.905500      -1.476100    
 H    2.665600       3.844100      1.8900000E-02
 H    1.233300       3.020500     -0.5607000    
 H   -2.983700     -0.1450000       1.164100    
 H  -0.3671000      -1.021800       2.144500    
 H   -3.772700       1.006400     -5.0799999E-02
 H   -1.745200      -2.134700       3.848100    
 H   -3.206200      -1.349600       3.222200    
 H   -2.333800      -2.516200       2.220700    
 H  -0.5244000       1.328700       2.971200    
 H  -0.6993000      0.1726000       4.301100    
 H   -2.124700      0.9985000       3.644300    
 H   -3.477200       2.981900      -1.415700    
 H   -3.386300       1.991800      -2.875600    
 H   -4.883700       2.029400      -1.925900    
 H   -3.297700     -0.6235000      -2.611600    
 H   -4.813800     -0.5310000      -1.698400    
 H   -3.394000      -1.314200     -0.9898000    


%chk=000158943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158943

0 1
O 0.015219 -0.193565 0.276148
N -2.029307 -0.133351 1.323487
N -1.777386 0.762794 -0.923356
C 2.294026 0.306827 -0.458583
C 0.868063 -0.034729 -0.950476
C 2.922842 -0.917269 0.261541
C 1.433110 -2.548193 -1.047457
C 0.802944 -1.335557 -1.771644
C 2.874957 -2.196658 -0.606885
C 2.341139 1.611104 0.399239
C 1.396137 -3.810698 -1.933463
C 3.793956 2.001376 0.770085
C 1.651186 2.805556 -0.307151
C -1.328447 0.189312 0.162933
C -1.423501 -0.618553 2.585752
C -3.200669 1.158923 -1.030309
C -2.495464 -1.385140 3.387525
C -0.808570 0.538710 3.411986
C -3.308021 2.296010 -2.066183
C -4.075769 -0.055763 -1.439886
H 2.884261 0.497648 -1.385106
H 0.427476 0.787241 -1.539163
H 2.373649 -1.092865 1.208828
H 3.972991 -0.699653 0.530533
H 0.836416 -2.740698 -0.130695
H 1.344676 -1.161761 -2.726399
H -0.252760 -1.535773 -2.035876
H 3.500742 -2.049992 -1.514241
H 3.317047 -3.047268 -0.050323
H 1.787129 1.402998 1.338031
H 1.980634 -3.656246 -2.861670
H 1.826003 -4.683796 -1.406752
H 0.360609 -4.066821 -2.227043
H 4.406272 2.148845 -0.141739
H 3.805566 2.950846 1.337348
H 4.290975 1.237283 1.393264
H 2.121463 3.006673 -1.290278
H 1.751272 3.722370 0.303831
H 0.573802 2.630453 -0.473733
H -2.995053 0.195432 1.371868
H -0.613702 -1.313171 2.301853
H -3.595176 1.557042 -0.058988
H -2.067903 -1.773063 4.328793
H -3.341040 -0.720940 3.656154
H -2.891723 -2.236267 2.806202
H -0.060081 1.082496 2.810398
H -0.309047 0.149668 4.318947
H -1.591283 1.253733 3.729102
H -2.693006 3.159473 -1.757163
H -2.931280 1.944219 -3.043370
H -4.355791 2.629396 -2.185953
H -3.731817 -0.445198 -2.415071
H -5.138515 0.235818 -1.534768
H -4.001252 -0.876255 -0.702122


