%chk=000158326.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158326

0 1
 O    2.462300       2.550400     -5.0000002E-04
 N    1.201400      -1.951000      3.0000001E-04
 N   -4.295300       1.349100      5.0000002E-04
 C   0.4228000      0.1370000     -3.0000001E-04
 C   4.6700001E-02  -1.204100     -1.9999999E-04
 C    1.853300      0.1806000     -9.9999997E-05
 C  -0.5880000       1.120900     -3.0000001E-04
 C   -1.291400      -1.617900     -3.9999999E-04
 C    2.309600      -1.137600      3.0000001E-04
 C   -1.941600      0.7318000     -1.9999999E-04
 C   -2.293600     -0.6324000     -3.0000001E-04
 C    2.803600       1.223200     -3.9999999E-04
 C  -0.2654000       2.585600      5.0000002E-04
 C   -1.627600      -3.076800     -1.9999999E-04
 C    3.669600      -1.468100      6.0000003E-04
 C   -3.649200     -0.9797000     -9.9999997E-05
 C   -2.980600       1.664300      3.0000001E-04
 C    4.167200      0.9087000     -9.9999997E-05
 C    4.591500     -0.4180000      3.9999999E-04
 C   -4.595300      3.3900000E-02  3.0000001E-04
 H    1.242600      -2.960200      6.0000003E-04
 H   0.3030000       2.828200     -0.9030000    
 H   -1.088600       3.294800      1.8000000E-03
 H   0.3042000       2.826800      0.9036000    
 H   -2.205500      -3.335300      0.8937000    
 H   -2.206300      -3.335400     -0.8935000    
 H  -0.7437000      -3.720200     -6.0000003E-04
 H    4.000800      -2.501200      1.0000000E-03
 H   -3.995500      -2.007800     -9.9999997E-05
 H   -2.854400       2.737400      1.9999999E-04
 H    4.916000       1.697400     -1.9999999E-04
 H    5.655300     -0.6415000      6.9999998E-04
 H   -5.655500     -0.1977000      5.0000002E-04
 H    3.270800       3.090700     -6.0000003E-04


%chk=000158326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158326

0 1
O 2.583219 2.612793 -0.000355
N 1.199681 -1.936681 0.000287
N -4.408299 1.324573 -0.000151
C 0.401844 0.239944 0.000260
C 0.027673 -1.170035 0.000208
C 1.883675 0.264770 0.000222
C -0.615786 1.222372 0.000406
C -1.286799 -1.649646 0.000127
C 2.324854 -1.108095 0.000285
C -1.989433 0.764428 0.000182
C -2.318372 -0.658519 0.000058
C 2.914140 1.246699 -0.000044
C -0.285124 2.703295 0.000730
C -1.611735 -3.132142 0.000075
C 3.674937 -1.514950 0.000270
C -3.709853 -1.017172 -0.000098
C -3.107128 1.676435 0.000003
C 4.277655 0.861162 -0.000082
C 4.653416 -0.502420 0.000098
C -4.692413 -0.030994 -0.000169
H 1.233556 -2.952290 0.000324
H 0.325262 2.967607 -0.878191
H -1.176900 3.344418 0.001832
H 0.326827 2.966793 0.878781
H -2.203547 -3.417110 0.890396
H -2.204228 -3.416878 -0.889863
H -0.708169 -3.765655 -0.000383
H 3.952022 -2.573619 0.000348
H -4.006992 -2.070116 -0.000161
H -2.933069 2.756174 -0.000035
H 5.054392 1.637205 -0.000283
H 5.716046 -0.766702 0.000064
H -5.757132 -0.288823 -0.000278
H 3.408978 3.159079 -0.000661


