%chk=000180904.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180904

0 1
O 3.803295 0.652417 -1.825535
O -0.550632 0.168649 1.321132
O 3.502222 -2.825591 2.422944
N -0.948592 0.257880 -0.947084
N 2.678063 1.438590 -1.615539
C -2.095057 -0.717746 -0.990664
C -3.319686 -0.046380 -0.357266
C -1.668927 -2.012901 -0.287112
C -2.400857 -1.014065 -2.471733
C -0.292231 0.625715 0.221235
C 0.809174 1.671543 0.024605
C -4.065006 -0.665026 0.653575
C -3.719277 1.219789 -0.819437
C 2.038520 1.043093 -0.511622
C 2.747209 -0.089728 0.082268
C 3.850253 -0.292313 -0.780470
C -5.192498 -0.032856 1.190605
C -4.843174 1.850060 -0.282275
C 2.553536 -0.912936 1.197262
C -5.585288 1.223664 0.724874
C 4.809681 -1.295314 -0.581117
C 3.505789 -1.910087 1.393745
C 4.624443 -2.106549 0.523886
C 2.427403 -2.738172 3.391876
H -0.628892 0.623456 -1.842296
H -0.752802 -2.425070 -0.725833
H -1.453635 -1.831038 0.779773
H -2.441498 -2.784557 -0.353322
H -1.560242 -1.506379 -2.973829
H -2.654352 -0.113077 -3.041066
H -3.264010 -1.688060 -2.553121
H 0.465218 2.517233 -0.609846
H 1.030217 2.129750 1.020883
H -3.774347 -1.639424 1.043674
H -3.148765 1.721226 -1.599033
H -5.761067 -0.523748 1.978657
H -5.141433 2.831368 -0.646557
H 1.690672 -0.761003 1.846146
H -6.460749 1.714756 1.144407
H 5.647757 -1.419543 -1.262874
H 5.320458 -2.912846 0.759263
H 1.460480 -2.896543 2.904589
H 2.465096 -1.778022 3.915173
H 2.670031 -3.567216 4.068959


%chk=000180904-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180904

0 1
O 3.746568 0.183271 -2.020501
O -0.636347 0.232921 1.228907
O 3.616234 -2.616753 2.798418
N -0.987844 0.330722 -1.082643
N 2.597047 1.106059 -1.849098
C -2.142589 -0.618392 -1.163350
C -3.342912 -0.060641 -0.358922
C -1.683258 -2.020707 -0.688014
C -2.540475 -0.685683 -2.665259
C -0.323770 0.663925 0.078159
C 0.887070 1.605920 -0.135869
C -4.190110 -0.898090 0.406285
C -3.663021 1.318879 -0.448186
C 2.087636 0.840416 -0.625843
C 2.810972 -0.213547 0.054928
C 3.835517 -0.587477 -0.847353
C -5.324662 -0.371927 1.065920
C -4.792511 1.848691 0.209846
C 2.670644 -0.858723 1.310735
C -5.633274 1.002725 0.970080
C 4.776273 -1.594986 -0.557317
C 3.606474 -1.871668 1.610446
C 4.644740 -2.229134 0.689112
C 2.573893 -2.314719 3.785028
H -0.602274 0.672695 -1.966981
H -0.789749 -2.326858 -1.260299
H -1.427830 -2.004608 0.383597
H -2.470412 -2.774562 -0.863767
H -1.705169 -1.078607 -3.275711
H -2.830597 0.310085 -3.047133
H -3.405605 -1.357239 -2.792119
H 0.647559 2.407998 -0.856474
H 1.104145 2.067375 0.842243
H -3.964788 -1.963837 0.509828
H -3.009956 1.987072 -1.022327
H -5.963033 -1.036503 1.659362
H -5.015852 2.919006 0.133487
H 1.855329 -0.583001 1.984543
H -6.510639 1.410808 1.484214
H 5.564885 -1.870852 -1.261394
H 5.335704 -3.022857 0.988437
H 1.563689 -2.490444 3.367634
H 2.649450 -1.268330 4.139068
H 2.759351 -3.005423 4.620183


