%chk=000122854.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122854

0 1
 O    1.739000      -1.685600     -8.1100002E-02
 O    3.593600      -2.966400     -0.3229000    
 O  -0.8683000      -2.387500     -0.5715000    
 O    3.949600       3.253400     -0.1329000    
 N    5.128600       2.475100       1.681400    
 C    3.379600      0.5390000     -0.9129000    
 C    2.079100      0.7063000     -0.1119000    
 C    1.105300     -0.4294000     -0.4070000    
 C    3.521300     -0.8697000      -1.495600    
 C  -0.1554000     -0.3159000      0.4389000    
 C    4.592100      0.9164000     -5.9400000E-02
 C    2.982800      -1.932700     -0.5726000    
 C   -1.111500      -1.480100      0.2248000    
 C   -2.415500      -1.435500       1.018000    
 C    4.506400       2.333800      0.4596000    
 C   -2.873000      -2.844000       1.393900    
 C   -3.436600     -0.7479000      0.1499000    
 C   -4.107600      0.3980000      0.3951000    
 C   -3.920300       1.235600       1.633100    
 C   -5.072000      0.8697000     -0.6014000    
 C   -5.825700       1.978600     -0.5305000    
 C   -6.791300       2.389100      -1.595000    
 H    3.342600       1.232200      -1.764800    
 H    1.617500       1.674300     -0.3403000    
 H    2.300000      0.7026000      0.9638000    
 H   0.8268000     -0.4491000      -1.468500    
 H    2.972400     -0.9524000      -2.441700    
 H    4.569800      -1.093500      -1.722700    
 H   0.1080000     -0.3197000       1.503500    
 H  -0.6826000      0.6154000      0.2071000    
 H    5.511100      0.8469000     -0.6541000    
 H    4.693000      0.2142000      0.7773000    
 H   -2.213200     -0.9038000       1.950400    
 H   -2.094500      -3.363000       1.964100    
 H   -3.778100      -2.808200       2.009900    
 H   -3.091400      -3.453500      0.5093000    
 H   -3.647400      -1.275000     -0.7825000    
 H    5.149300       3.373400       2.152800    
 H    5.591900       1.705100       2.153200    
 H   -4.861300       1.313300       2.189200    
 H   -3.179100      0.8380000       2.328200    
 H   -3.585800       2.244500       1.366400    
 H   -5.180400      0.2458000      -1.487900    
 H   -5.765200       2.642000      0.3271000    
 H   -6.811900       1.685800      -2.433400    
 H   -7.800800       2.451200      -1.177400    
 H   -6.518800       3.374900      -1.984000    


%chk=000122854-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122854

0 1
O 0.808212 -1.095310 0.730070
O 1.840558 -1.322243 2.764225
O -1.044282 -2.818233 -2.037088
O 4.317018 2.349855 -1.669083
N 4.209473 3.755231 0.171475
C 3.356226 0.085111 -0.209742
C 1.976496 0.353732 -0.891096
C 1.023203 -0.840136 -0.743429
C 3.272221 -1.141203 0.753920
C -0.382270 -0.599874 -1.319910
C 3.870669 1.335982 0.536703
C 1.963775 -1.193797 1.531104
C -1.235312 -1.874360 -1.224533
C -2.274314 -1.952848 -0.086765
C 4.141667 2.506594 -0.424239
C -2.893317 -3.363895 0.016095
C -3.342049 -0.891128 -0.300086
C -3.558545 0.259660 0.421687
C -2.700410 0.696499 1.597268
C -4.696839 1.117452 0.039027
C -5.071566 2.282799 0.646616
C -6.252228 3.125978 0.226716
H 4.094068 -0.148422 -0.998220
H 2.125102 0.592750 -1.957801
H 1.484439 1.233634 -0.431141
H 1.452748 -1.760933 -1.187666
H 3.343513 -2.071938 0.157130
H 4.104042 -1.150766 1.476829
H -0.857922 0.243574 -0.792656
H -0.269289 -0.338284 -2.388248
H 4.826103 1.097907 1.047426
H 3.154342 1.641615 1.325087
H -1.704278 -1.726449 0.835705
H -2.107411 -4.127802 0.147875
H -3.587518 -3.412128 0.872872
H -3.448368 -3.618502 -0.903804
H -4.030296 -1.109367 -1.132574
H 4.432372 4.562331 -0.411320
H 4.060872 3.889207 1.170322
H -3.311284 0.779459 2.516317
H -1.869892 0.003772 1.803085
H -2.263351 1.697120 1.412579
H -5.291829 0.765085 -0.818080
H -4.494805 2.653946 1.506093
H -6.772992 2.690605 -0.644469
H -6.986805 3.224776 1.050639
H -5.937847 4.154646 -0.039913


