%chk=000019021.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019021

0 1
 O   -4.384400      0.8612000      0.7727000    
 O   -3.589400       1.748400      -1.071100    
 O    1.337800       2.578800       1.226100    
 N    2.141900      6.0199998E-02  0.4806000    
 N   -3.528900      0.9048000     -0.1441000    
 N    2.630800       1.177000     -9.7800002E-02
 N    2.762400       3.454700     -0.3482000    
 C   0.7680000      -2.841600     -9.3900003E-02
 C    1.989400      -2.337300      0.6759000    
 C  -0.3700000      -1.850500     -0.1076000    
 C    2.575500      -1.084100      4.4700000E-02
 C   -1.319700      -1.892100      0.9010000    
 C  -0.4445000     -0.9157000      -1.128200    
 C   -2.371100     -0.9756000      0.8885000    
 C   -1.495900      1.1000000E-03  -1.140600    
 C   -2.459100     -2.8800000E-02 -0.1321000    
 C    3.585600      -1.269600      -1.063400    
 C    2.171600       2.409200      0.3376000    
 H    1.049700      -3.083100      -1.127200    
 H   0.4254000      -3.785800      0.3480000    
 H    1.719800      -2.112100       1.715100    
 H    2.761500      -3.113800      0.7040000    
 H   -1.257800      -2.624200       1.701100    
 H   0.2961000     -0.8864000      -1.922300    
 H   -3.102700      -1.028100       1.690800    
 H   -1.532600      0.7237000      -1.951800    
 H    3.779200      -2.332000      -1.233600    
 H    4.527300     -0.7859000     -0.7905000    
 H    3.199300     -0.8373000      -1.990400    
 H    3.316000       1.098000     -0.8396000    
 H    2.526600       4.419400     -0.1411000    
 H    3.447900       3.291700      -1.078100    


%chk=000019021-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019021

0 1
O -4.248334 1.385873 0.246808
O -4.989224 0.026754 -1.427988
O 2.012332 2.516806 2.185769
N 2.504349 0.121456 0.817064
N -4.099279 0.389677 -0.561935
N 3.064355 1.327477 0.428554
N 3.538314 3.592327 0.785383
C 0.824489 -2.721594 -0.330608
C 2.007539 -2.212485 0.536208
C -0.433457 -1.855857 -0.372507
C 2.650623 -0.930274 0.037889
C -0.643991 -0.745747 0.488535
C -1.457099 -2.202357 -1.299161
C -1.843988 -0.006692 0.432585
C -2.659623 -1.478816 -1.370460
C -2.837551 -0.383025 -0.495589
C 3.395864 -0.932160 -1.288074
C 2.811229 2.480811 1.217349
H 1.170524 -2.892639 -1.370641
H 0.537914 -3.724166 0.049558
H 1.679063 -2.050914 1.577703
H 2.772685 -3.014845 0.559343
H 0.133131 -0.432951 1.191416
H -1.305722 -3.056450 -1.970655
H -2.013123 0.851933 1.087693
H -3.452400 -1.737911 -2.076962
H 3.384179 -1.934176 -1.745407
H 4.459214 -0.642502 -1.160239
H 2.942205 -0.229483 -2.016810
H 3.597834 1.415192 -0.445837
H 3.365417 4.465297 1.277520
H 4.288233 3.555641 0.097996


