%chk=000200319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200319

0 1
O 3.284295 0.321409 1.619374
O 3.966734 1.373685 -0.803703
N -3.241049 1.196411 -0.338163
C -1.370159 -0.327337 0.293100
C -1.875647 0.428933 1.561423
C -2.443793 0.013069 -0.791561
C -1.340222 -1.853542 0.546195
C -3.188392 1.130458 1.159621
C 0.036044 0.147746 -0.056477
C -0.848189 -2.658793 -0.664172
C -2.679441 2.479132 -0.855769
C 1.044431 0.031577 0.922391
C 0.359354 0.678216 -1.310157
C -0.858052 -4.159040 -0.379551
C 2.340701 0.451849 0.633929
C 1.660239 1.104930 -1.614082
C 2.647613 0.992486 -0.642134
H -1.134631 1.170909 1.905945
H -2.033919 -0.255253 2.409034
H -2.008303 0.167571 -1.796388
H -3.166662 -0.826253 -0.893424
H -2.353636 -2.194554 0.835703
H -0.693744 -2.073641 1.418268
H -4.070653 0.537316 1.482774
H -3.286421 2.128053 1.622996
H 0.177506 -2.336951 -0.936923
H -1.477207 -2.443286 -1.549193
H -1.632286 2.670777 -0.577277
H -3.296672 3.313044 -0.486014
H -2.756645 2.484284 -1.954072
H 0.833122 -0.386518 1.906163
H -0.412448 0.765124 -2.079154
H -0.207473 -4.414187 0.464965
H -1.864338 -4.520070 -0.139298
H -0.504085 -4.727620 -1.246974
H 1.885604 1.514665 -2.594804
H 4.173610 0.648618 1.302410
H 4.127913 1.734982 -1.707599


%chk=000200319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200319

0 1
O 3.273928 0.935923 1.730995
O 4.168055 1.272046 -0.797719
N -3.293901 1.208175 -0.268541
C -1.330253 -0.258888 0.242359
C -1.875395 0.445843 1.545322
C -2.438571 0.128926 -0.834672
C -1.326906 -1.813107 0.465731
C -3.329916 0.869174 1.182597
C 0.101989 0.196000 -0.106198
C -0.952352 -2.671643 -0.763472
C -2.781603 2.575558 -0.539041
C 1.041278 0.389302 0.944660
C 0.560835 0.349690 -1.440180
C -1.005644 -4.183363 -0.451473
C 2.373381 0.744855 0.675686
C 1.901332 0.708580 -1.723091
C 2.804201 0.909144 -0.666613
H -1.276878 1.343291 1.781072
H -1.840404 -0.224082 2.423450
H -2.031216 0.448375 -1.806706
H -3.080481 -0.755627 -1.011801
H -2.338762 -2.108301 0.817012
H -0.622871 -2.049466 1.289752
H -4.027672 0.020833 1.326667
H -3.701077 1.721414 1.777021
H 0.063499 -2.398715 -1.106831
H -1.640112 -2.447174 -1.603759
H -1.746697 2.768317 -0.168244
H -3.459617 3.311619 -0.071336
H -2.790747 2.755256 -1.628693
H 0.751722 0.266153 1.992798
H -0.117287 0.185588 -2.282129
H -0.302955 -4.443999 0.362571
H -2.019280 -4.489123 -0.129168
H -0.735500 -4.788307 -1.336610
H 2.229720 0.826192 -2.763786
H 4.159484 1.180077 1.352547
H 4.429775 1.379663 -1.742774


