%chk=000004428.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004428

0 1
 O    2.570100     -0.1474000      -1.494300    
 O  -0.7554000       2.723600     -0.1283000    
 O    3.950300       1.809800     -0.2409000    
 O    3.797400      -2.706500     -0.8006000    
 N   -2.343700      0.4910000      6.7500003E-02
 C   0.4793000      0.6630000     -0.5907000    
 C  -0.1622000       1.562500      0.4769000    
 C   -1.319100      0.7237000       1.119800    
 C    1.841800       1.079600      -1.167300    
 C  -0.5611000      0.3389000      -1.688400    
 C   0.9350000     -0.6117000      3.2200001E-02
 C   0.8697000       2.086500       1.491300    
 C   -1.859500     -0.2475000      -1.103200    
 C  -0.7975000     -0.5838000       1.814300    
 C   0.3428000      -1.259800       1.099300    
 C   -3.590000     -7.0299998E-02  0.5770000    
 C    2.033200       2.788700      0.7928000    
 C   -4.696200      7.1000000E-03 -0.4551000    
 C    2.720400       1.865900     -0.1886000    
 C    2.093100      -1.053400     -0.5755000    
 C   -6.033500     -0.5280000     -9.2000000E-02
 C   -5.166700      -1.258000      -1.075700    
 C   0.9192000      -2.465200       1.499300    
 C    2.669300      -2.247100     -0.2068000    
 C    2.063300      -2.961600      0.8369000    
 H   -1.798100       1.345600       1.888600    
 H    1.736000       1.682600      -2.076100    
 H  -0.8002000       1.255600      -2.243600    
 H  -0.1591000     -0.3676000      -2.426500    
 H   0.3938000       2.803100       2.172100    
 H    1.269400       1.277500       2.112300    
 H   -2.598100     -0.2225000      -1.912600    
 H   -1.708800      -1.306700     -0.8595000    
 H   -1.605300      -1.303300       1.977900    
 H  -0.4329000     -0.3038000       2.811600    
 H   -3.463000      -1.102700      0.9225000    
 H   -3.922600      0.5183000       1.441000    
 H    2.764400       3.112400       1.541700    
 H    1.695900       3.676800      0.2481000    
 H   -4.688000      0.9195000      -1.038900    
 H   -6.907100     -1.5300000E-02 -0.4755000    
 H   -6.171100     -0.9742000      0.8853000    
 H   -4.730600      -2.198000     -0.7613000    
 H   -5.455000      -1.230600      -2.119500    
 H   -1.223800       3.216600      0.5668000    
 H   0.5035000      -3.022600       2.334400    
 H    2.490300      -3.904300       1.172700    
 H    4.043600      -3.554500     -0.3929000    


%chk=000004428-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004428

0 1
O 2.636104 -0.156977 -1.484941
O -0.853260 2.647250 -0.086721
O 3.961240 1.991748 -0.264360
O 3.948828 -2.726693 -0.842892
N -2.299267 0.427282 0.130729
C 0.522203 0.606063 -0.538145
C -0.157893 1.508909 0.537191
C -1.268083 0.621521 1.207363
C 1.858112 1.106486 -1.169562
C -0.532613 0.259065 -1.631929
C 1.019023 -0.667100 0.122880
C 0.863358 2.113733 1.508809
C -1.795308 -0.383239 -1.020206
C -0.748050 -0.683450 1.900502
C 0.423611 -1.349347 1.189591
C -3.628163 -0.000058 0.639239
C 1.920001 2.919064 0.704434
C -4.754720 0.243411 -0.357477
C 2.707572 2.011068 -0.232718
C 2.193244 -1.088586 -0.518124
C -6.120669 -0.413260 -0.108346
C -5.254213 -0.876229 -1.288394
C 1.036674 -2.568970 1.576810
C 2.797060 -2.310327 -0.160906
C 2.186749 -3.042470 0.897142
H -1.757358 1.245823 1.981282
H 1.714681 1.620548 -2.136260
H -0.803508 1.190805 -2.163108
H -0.088815 -0.435118 -2.368980
H 0.334505 2.792774 2.201408
H 1.360026 1.327375 2.106777
H -2.595589 -0.426809 -1.777410
H -1.578609 -1.431074 -0.707248
H -1.596215 -1.387753 2.018132
H -0.436369 -0.421952 2.932350
H -3.636557 -1.080051 0.932864
H -3.826374 0.584690 1.559241
H 2.636287 3.437565 1.363803
H 1.374562 3.676644 0.107251
H -4.767664 1.261383 -0.764660
H -7.022110 0.168237 -0.319708
H -6.213480 -1.086676 0.750437
H -4.772701 -1.856775 -1.209571
H -5.571653 -0.610013 -2.300780
H -1.755536 2.253695 -0.316591
H 0.632527 -3.152353 2.411989
H 2.641898 -3.991498 1.211680
H 4.299714 -3.566463 -0.454366


