%chk=000245887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245887

0 1
O 3.010432 -2.321797 -0.152239
O 3.010506 2.321592 0.152531
O -3.010403 -2.321712 -0.152119
O -3.010330 2.321676 0.152651
N 3.416580 -0.000107 0.000140
N -3.416475 -0.000013 0.000267
C 1.177073 -0.703602 -0.050843
C 1.177095 0.703447 0.051245
C -1.176990 -0.703570 -0.050797
C -1.176969 0.703480 0.051291
C 0.000030 -1.447437 -0.105321
C 0.000074 1.447315 0.105766
C 2.601751 -1.196840 -0.081818
C 2.601786 1.196646 0.082162
C -2.601682 -1.196769 -0.081717
C -2.601646 1.196718 0.082269
C 4.863443 -0.000114 0.000077
C -4.863338 0.000002 0.000256
C 5.559243 -1.142539 0.432078
C 5.559200 1.142315 -0.431976
C -5.559124 -1.142413 0.432300
C -5.559108 1.142423 -0.431805
C 6.955555 -1.132357 0.425314
C 6.955512 1.132142 -0.425328
C -6.955436 -1.132230 0.425583
C -6.955420 1.132250 -0.425110
C 7.657227 -0.000106 -0.000038
C -7.657121 0.000013 0.000231
H 0.000014 -2.538290 -0.185175
H 0.000091 2.538168 0.185622
H 5.025379 -2.037285 0.758353
H 5.025299 2.037059 -0.758196
H -5.025245 -2.037152 0.758568
H -5.025220 2.037158 -0.758068
H 7.498961 -2.017792 0.756144
H 7.498884 2.017583 -0.756198
H -7.498831 -2.017659 0.756446
H -7.498803 2.017682 -0.755986
H 8.745452 -0.000101 -0.000082
H -8.745347 0.000017 0.000220


%chk=000245887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245887

0 1
O 3.017137 -2.333007 -0.413176
O 3.017118 2.333070 0.412421
O -3.017009 -2.333469 -0.410681
O -3.017039 2.332606 0.414917
N 3.425506 0.000096 -0.000713
N -3.425401 -0.000510 0.002535
C 1.188091 -0.697872 -0.121533
C 1.188084 0.697662 0.122254
C -1.187980 -0.698238 -0.119517
C -1.187988 0.697296 0.124270
C 0.000060 -1.441596 -0.250798
C 0.000044 1.441029 0.253488
C 2.607384 -1.168287 -0.204718
C 2.607372 1.168509 0.203061
C -2.607269 -1.169091 -0.200296
C -2.607280 1.167706 0.207480
C 4.867263 0.000096 -0.000662
C -4.867158 -0.000226 0.000969
C 5.571847 -1.100629 0.547562
C 5.571867 1.100827 -0.548843
C -5.572556 -1.100804 0.548435
C -5.570946 1.100650 -0.547974
C 6.982471 -1.095971 0.538806
C 6.982491 1.096170 -0.540026
C -6.983170 -1.095842 0.538180
C -6.981579 1.096297 -0.540656
C 7.693823 0.000101 -0.000595
C -7.693716 0.000377 -0.001983
H 0.000066 -2.518982 -0.438619
H 0.000038 2.518417 0.441294
H 5.027423 -1.951916 0.962062
H 5.027458 1.952114 -0.963362
H -5.028755 -1.952204 0.963519
H -5.025914 1.951822 -0.961911
H 7.524059 -1.950104 0.958907
H 7.524094 1.950307 -0.960099
H -7.525385 -1.949860 0.957705
H -7.522555 1.950547 -0.961308
H 8.789035 0.000104 -0.000568
H -8.788927 0.000609 -0.003129


