%chk=000168363.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168363

0 1
 O  -0.7564000       2.790800     -0.1998000    
 O   -3.135700       3.098400     -0.2114000    
 O    4.714800     -0.8519000      1.7800000E-02
 O    3.854300       1.677700      0.7703000    
 N   -2.143900      -3.212100     -0.1698000    
 C   -1.189300      -2.164400      0.2235000    
 C   -1.745000     -0.7520000      0.1008000    
 C   8.2699999E-02  -2.305700     -0.6280000    
 C  -0.8349000      0.3390000      4.5400001E-02
 C   -3.150700     -0.5526000      9.1899998E-02
 C   -4.091400      -1.731600      0.1066000    
 C    1.083200      -1.230700     -0.2665000    
 C   -3.410700      -3.029500      0.5379000    
 C   0.6233000      6.5899998E-02  6.8499997E-02
 C   -1.413200       1.601200     -6.5399997E-02
 C   -3.671700      0.7400000     -7.4000000E-03
 C   -2.781600       1.788700     -8.6599998E-02
 C    2.455000      -1.523800     -0.2969000    
 C    1.589100       1.020400      0.4308000    
 C    3.387400     -0.5500000      4.3200001E-02
 C    2.954400      0.7173000      0.4151000    
 C   -1.845200       3.727400     -0.2731000    
 C    5.071600      -2.175900     -0.3756000    
 C    4.353900       2.513500     -0.2713000    
 H  -0.9265000      -2.313700       1.281300    
 H  -0.1437000      -2.216700      -1.699000    
 H   0.5212000      -3.298400     -0.4635000    
 H   -4.930700      -1.529400      0.7827000    
 H   -4.498000      -1.852700     -0.9056000    
 H   -1.753600      -4.125800      5.9599999E-02
 H   -3.242700      -3.035800       1.622500    
 H   -4.074700      -3.872400      0.3164000    
 H   -4.742100      0.9143000     -3.8600001E-02
 H    2.727700      -2.533000     -0.5877000    
 H    1.299500       2.017100      0.7516000    
 H   -1.768300       4.282300      -1.215000    
 H   -1.757300       4.435200      0.5591000    
 H    4.771100      -2.385500      -1.407800    
 H    4.691700      -2.922700      0.3300000    
 H    6.164500      -2.237300     -0.3447000    
 H    3.538100       3.077300     -0.7349000    
 H    4.876100       1.918100      -1.026900    
 H    5.062800       3.221100      0.1672000    


%chk=000168363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168363

0 1
O -0.858608 2.860434 0.021235
O -3.229174 3.159086 0.039188
O 4.739345 -0.661697 -0.058627
O 3.727532 1.881008 0.696261
N -2.217209 -3.231845 -0.149071
C -1.227189 -2.194063 0.203115
C -1.838526 -0.794097 0.105328
C 0.008431 -2.293901 -0.713347
C -0.918490 0.315238 0.059415
C -3.242892 -0.608921 0.106124
C -4.188979 -1.805456 0.114635
C 1.018351 -1.219026 -0.349374
C -3.486611 -3.088671 0.595275
C 0.543290 0.072074 0.026298
C -1.509641 1.589981 0.031710
C -3.797420 0.705122 0.074023
C -2.906641 1.773703 0.036513
C 2.405412 -1.471918 -0.395182
C 1.494665 1.081937 0.332008
C 3.347118 -0.465876 -0.075092
C 2.878218 0.835207 0.284796
C -1.942892 3.841590 -0.235553
C 5.236473 -2.007323 -0.353622
C 4.797747 2.285934 -0.237865
H -0.867766 -2.313842 1.261735
H -0.335356 -2.178180 -1.761318
H 0.464137 -3.299731 -0.627649
H -5.066659 -1.591163 0.754748
H -4.566343 -1.976668 -0.912690
H -1.813445 -4.174610 -0.074159
H -3.329081 -3.030819 1.701555
H -4.122369 -3.969372 0.392942
H -4.879103 0.866015 0.078544
H 2.745870 -2.473997 -0.676007
H 1.174356 2.086222 0.617763
H -1.911127 4.142192 -1.301271
H -1.828092 4.689357 0.456206
H 4.970961 -2.320615 -1.382174
H 4.844907 -2.745666 0.372512
H 6.330009 -1.936732 -0.257818
H 4.364040 2.610629 -1.204124
H 5.513219 1.463146 -0.402353
H 5.294632 3.137413 0.252070


