%chk=000100132.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100132

0 1
 O   0.5125000      -2.005000      -1.584100    
 O    3.204300      -2.419100      -1.325700    
 O    4.558600      -1.439900      0.8763000    
 O   -5.424600      -1.480500     -0.1490000    
 O   -4.484400      0.6038000      -1.735800    
 O   0.5119000       4.491400      0.2046000    
 O    2.418400       4.778800      -1.673900    
 N   0.3453000       2.204300     -0.1819000    
 C  -0.6772000       1.918400      0.8047000    
 C  -8.6199999E-02   1.806800       2.227800    
 C   0.4126000      0.4368000       2.701100    
 C   -1.555400      0.7650000      0.3115000    
 C    1.149700     -0.3371000       1.641800    
 C   0.4518000     -0.8433000      0.5263000    
 C   -1.014400     -0.6008000      0.3986000    
 C    1.153300      -1.539500     -0.4708000    
 C    2.531000     -0.5473000       1.745800    
 C   -2.739300       1.088600     -0.2418000    
 C   -1.758200      -1.722200      0.4643000    
 C    2.528100      -1.742900     -0.3532000    
 C    3.215000      -1.249100      0.7534000    
 C   -3.789000      0.2064000     -0.8032000    
 C   0.8513000       3.474600     -0.3944000    
 C   -3.190200      -1.865500      0.4492000    
 C   -4.098800      -1.078300     -0.1331000    
 C    1.905100       3.477900      -1.481100    
 C   0.4505000      -1.128600      -2.705300    
 C    3.318200      -3.831700      -1.171000    
 C    5.408600     -0.4406000      0.3173000    
 C   -6.108200     -0.9815000      0.9816000    
 H   -1.294000       2.828400      0.8418000    
 H   0.7379000       2.525800       2.330600    
 H  -0.8509000       2.132300       2.946300    
 H    1.050000      0.5788000       3.583200    
 H  -0.4320000     -0.1662000       3.059900    
 H   0.7182000       1.440100     -0.7376000    
 H    3.078100     -0.1593000       2.602000    
 H   -2.996900       2.142300     -0.3460000    
 H   -1.260600      -2.685700      0.5870000    
 H   -3.537500      -2.794400      0.9010000    
 H    1.476200       3.116200      -2.420700    
 H    2.728500       2.819500      -1.187400    
 H  -6.9300003E-02  -1.647100      -3.515600    
 H  -0.1082000     -0.2202000      -2.460800    
 H    1.456100     -0.8667000      -3.049000    
 H    2.328300      -4.298700      -1.155100    
 H    3.863300      -4.076300     -0.2540000    
 H    3.876400      -4.225700      -2.024700    
 H    5.236700      0.5249000      0.8037000    
 H    5.242900     -0.3525000     -0.7611000    
 H    6.446500     -0.7387000      0.4884000    
 H    1.695400       5.330500      -2.018100    
 H   -7.151000      -1.307800      0.9215000    
 H   -5.686000      -1.377300       1.912000    
 H   -6.099900      0.1140000       1.001900    


%chk=000100132-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100132

0 1
O 0.672689 -1.802380 -1.518892
O 3.447277 -2.226541 -1.244228
O 4.765424 -1.303866 1.194769
O -5.357301 -1.570890 0.006144
O -5.114949 1.272835 0.075792
O -0.487063 4.052805 -0.931819
O 1.428205 4.394396 -2.762033
N 0.546198 2.231331 0.110825
C -0.522444 2.017444 1.116004
C 0.057894 1.875973 2.555437
C 0.485593 0.432853 2.944263
C -1.473304 0.852597 0.740905
C 1.265190 -0.259325 1.840218
C 0.574329 -0.675182 0.656546
C -0.906272 -0.465076 0.516032
C 1.331380 -1.320046 -0.365286
C 2.657307 -0.452499 1.954256
C -2.815359 1.224285 0.640071
C -1.659999 -1.606070 0.190271
C 2.730660 -1.549976 -0.228298
C 3.406355 -1.085156 0.933228
C -4.066193 0.552183 0.284980
C 0.472778 3.221488 -0.837392
C -3.058165 -1.810911 0.061409
C -4.141024 -0.927575 0.158083
C 1.648530 3.307905 -1.833937
C 1.016317 -1.096873 -2.777949
C 3.150502 -3.680320 -1.321276
C 5.743850 -0.968126 0.133944
C -6.658965 -0.967916 0.390562
H -1.108793 2.951014 1.080860
H 0.916538 2.569132 2.640263
H -0.709909 2.220556 3.273640
H 1.084814 0.473081 3.871282
H -0.424191 -0.154722 3.171583
H 1.342422 1.590212 0.109008
H 3.192687 -0.131069 2.853274
H -3.022559 2.294397 0.785748
H -1.071879 -2.518836 0.045814
H -3.365338 -2.847424 -0.129313
H 1.732956 2.347532 -2.386252
H 2.594548 3.471423 -1.277473
H 0.461081 -1.623794 -3.568096
H 0.678623 -0.044385 -2.725153
H 2.103050 -1.149955 -2.966782
H 2.077801 -3.840434 -1.527627
H 3.441837 -4.175657 -0.376873
H 3.762590 -4.060312 -2.153284
H 5.717866 0.119338 -0.071145
H 5.536781 -1.531909 -0.789168
H 6.721454 -1.244656 0.556127
H 0.549969 4.802480 -2.502751
H -7.365554 -1.805779 0.285414
H -6.628781 -0.615455 1.435649
H -6.908957 -0.126046 -0.268172


