%chk=000291014.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291014

0 1
O -3.459330 -3.174977 -0.830562
O -1.427331 -2.550200 -1.193551
O -6.213226 1.749701 1.641186
O -6.746970 -0.260629 1.043411
N 0.312532 0.826015 -0.417818
N -0.633171 -0.166757 -0.609081
N -2.579181 -2.336907 -0.793135
N -5.949775 0.654648 1.170485
C 4.518504 0.145052 -0.412564
C 3.752979 -1.087117 -0.016076
C 2.584361 -1.462641 -0.707603
C 2.009778 -0.504122 -1.713482
C 3.839013 1.486892 -0.298893
C 2.487523 1.755469 -0.598880
C 1.514761 0.683235 -0.920830
C 4.243235 -1.922367 0.997282
C 1.934667 -2.664563 -0.404469
C 4.671388 2.564148 0.067549
C 2.013003 3.082956 -0.556754
C 3.589826 -3.119967 1.302893
C 2.443576 -3.496391 0.596912
C 4.190350 3.870776 0.115921
C 2.855119 4.135342 -0.207798
C -1.911389 0.029943 -0.141996
C -2.883471 -1.024172 -0.255295
C -2.324557 1.277627 0.439616
C -4.209376 -0.800273 0.181269
C -4.571907 0.422690 0.722962
C -3.611541 1.471589 0.858448
H 4.844219 0.024098 -1.476400
H 5.474692 0.173452 0.161758
H 2.778741 -0.191964 -2.454844
H 1.215324 -0.966708 -2.334136
H 5.135927 -1.640327 1.553811
H 1.031533 -2.960688 -0.943049
H 5.715001 2.374769 0.319889
H 0.966481 3.286826 -0.796401
H 3.977175 -3.761500 2.093563
H 1.940749 -4.434664 0.829376
H 4.854099 4.686164 0.403798
H 2.475714 5.155478 -0.180744
H -0.358061 -1.106664 -0.995482
H -1.575498 2.070998 0.546095
H -4.953540 -1.612739 0.086617
H -3.934950 2.422665 1.302999


%chk=000291014-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291014

0 1
O -3.621218 -3.149779 -0.994955
O -1.447610 -2.508593 -1.232240
O -6.428109 1.903727 1.459419
O -6.978407 -0.213490 0.795278
N 0.230848 0.877519 -0.355055
N -0.720274 -0.106687 -0.569128
N -2.696880 -2.262513 -0.878163
N -6.127918 0.744977 0.965555
C 4.565649 0.117665 -0.687736
C 3.920893 -1.137097 -0.112636
C 2.635290 -1.537093 -0.567290
C 1.906044 -0.608566 -1.533235
C 3.881051 1.465600 -0.422098
C 2.467794 1.710462 -0.479046
C 1.466783 0.652947 -0.792174
C 4.602198 -1.948081 0.823753
C 2.051283 -2.734347 -0.092304
C 4.735285 2.552691 -0.098992
C 1.983422 3.026182 -0.209534
C 4.016933 -3.141977 1.305906
C 2.742374 -3.539029 0.842842
C 4.243840 3.848421 0.156270
C 2.850562 4.086115 0.099823
C -2.024850 0.092785 -0.185462
C -3.021113 -0.946499 -0.338722
C -2.446853 1.341846 0.379866
C -4.364795 -0.727082 0.038258
C -4.726569 0.512824 0.574654
C -3.769375 1.553728 0.753927
H 4.657776 -0.013712 -1.789107
H 5.602732 0.188615 -0.315012
H 2.580528 -0.301892 -2.354299
H 1.058944 -1.127218 -2.014194
H 5.595370 -1.646798 1.177786
H 1.064661 -3.045853 -0.456719
H 5.815139 2.370593 -0.043242
H 0.903954 3.191654 -0.259641
H 4.554462 -3.759612 2.033625
H 2.288648 -4.468127 1.204203
H 4.937733 4.660657 0.398320
H 2.449573 5.086935 0.291507
H -0.520017 -1.054730 -0.947963
H -1.687561 2.115069 0.507764
H -5.104653 -1.521474 -0.088720
H -4.096575 2.503436 1.184908


