%chk=000041547.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041547

0 1
 O    1.630400      -1.546600       1.845400    
 O  -0.9111000     -0.2107000      -1.474300    
 N    3.398300      -1.380800     -0.2115000    
 N   0.7334000      0.5738000       1.392600    
 N   -2.414600      0.8957000     -5.2800000E-02
 C    4.021500      -1.467100      -1.539600    
 C    4.332100     -0.8260000      0.7785000    
 C    5.273200      -2.345300      -1.505800    
 C    5.594000      -1.683500      0.8882000    
 C    6.272000      -1.847700     -0.4671000    
 C    2.177800     -0.5770000     -0.2703000    
 C    1.505800     -0.5736000       1.096900    
 C   0.7230000       1.720700      0.5068000    
 C  -1.0800000E-02  0.7127000       2.654300    
 C  -0.2053000       1.779300     -0.4980000    
 C    1.661900       2.693600      0.7329000    
 C  -0.1954000       2.892000      -1.339100    
 C   -1.198900      0.7383000     -0.7299000    
 C    1.671600       3.806200     -0.1082000    
 C   0.7431000       3.905400      -1.144200    
 C   -3.544800      4.1700002E-02 -6.4400002E-02
 C   -3.509400      -1.115900     -0.8229000    
 C   -4.658800      0.3839000      0.6828000    
 C   -5.753000      -1.627700     -8.7499999E-02
 C   -4.622200      -1.956900     -0.8345000    
 C   -5.771400     -0.4573000      0.6713000    
 C   -6.942600      -2.527300     -9.9399999E-02
 H    4.283900     -0.4691000      -1.915000    
 H    3.314700      -1.907800      -2.253300    
 H    3.904500     -0.7767000       1.784300    
 H    4.615200      0.2002000      0.5065000    
 H    5.744100      -2.357100      -2.495300    
 H    4.989900      -3.379900      -1.274000    
 H    5.333800      -2.671000       1.290000    
 H    6.293600      -1.224400       1.595900    
 H    6.685400     -0.8840000     -0.7890000    
 H    7.111000      -2.547600     -0.3861000    
 H    1.470600      -1.034100     -0.9703000    
 H    2.426700      0.4217000     -0.6331000    
 H  -0.1413000     -0.2667000       3.122200    
 H   0.5658000       1.352600       3.328800    
 H  -0.9911000       1.157900       2.466200    
 H    2.387400       2.618500       1.536800    
 H  -0.9134000       2.981100      -2.150500    
 H    2.402800       4.594800      4.3000001E-02
 H   0.7510000       4.771600      -1.799300    
 H   -2.510700       1.726300      0.5281000    
 H   -2.674400      -1.440200      -1.425200    
 H   -4.682700       1.292800       1.277500    
 H   -4.596400      -2.867400      -1.427600    
 H   -6.645900     -0.1911000       1.259100    
 H   -6.859300      -3.270700      0.6995000    
 H   -7.033000      -3.050200      -1.057600    
 H   -7.868500      -1.960100      4.4100001E-02


%chk=000041547-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041547

0 1
O 2.288482 -0.962159 2.443515
O -0.661785 -0.513555 -0.342316
N 3.642289 -1.208995 -0.067892
N 1.093782 0.907691 1.744896
N -2.540221 0.880496 -0.088724
C 3.885453 -1.516795 -1.497789
C 4.893687 -0.885966 0.659179
C 4.857907 -2.703778 -1.647863
C 5.902748 -2.047767 0.563512
C 6.186236 -2.417068 -0.910691
C 2.592570 -0.201069 0.101521
C 2.013561 -0.138736 1.525658
C 0.803916 1.952429 0.791500
C 0.362009 0.962349 3.027291
C -0.325530 1.887712 -0.076895
C 1.607847 3.118791 0.797126
C -0.608180 2.988188 -0.928880
C -1.169736 0.637135 -0.173439
C 1.322404 4.204853 -0.057943
C 0.208760 4.139026 -0.926540
C -3.622754 -0.041087 -0.210716
C -3.441754 -1.430496 -0.439837
C -4.939171 0.479895 -0.098068
C -5.896003 -1.763397 -0.441755
C -4.573980 -2.264086 -0.554035
C -6.054639 -0.371791 -0.213498
C -7.099047 -2.685208 -0.534960
H 4.310775 -0.628658 -2.042155
H 2.915232 -1.758490 -1.971443
H 4.635992 -0.699782 1.715441
H 5.365121 0.047901 0.243596
H 5.038876 -2.898312 -2.722997
H 4.382769 -3.605067 -1.215240
H 5.477842 -2.922739 1.091245
H 6.838870 -1.763566 1.082531
H 6.707173 -1.572240 -1.408911
H 6.860420 -3.292838 -0.969872
H 1.736480 -0.453219 -0.554770
H 2.930365 0.827275 -0.196105
H 0.746056 0.144087 3.657369
H 0.527326 1.930962 3.534822
H -0.724002 0.820036 2.869037
H 2.457732 3.158358 1.487396
H -1.450865 2.924697 -1.627901
H 1.962033 5.093891 -0.046457
H -0.016885 4.971821 -1.600939
H -2.806306 1.849080 0.107985
H -2.431569 -1.834639 -0.522979
H -5.091154 1.553760 0.075031
H -4.420649 -3.335163 -0.733766
H -7.062977 0.050380 -0.126632
H -7.359438 -3.103479 0.457053
H -6.903965 -3.539013 -1.207573
H -7.990604 -2.152354 -0.910225


