%chk=000124012.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124012

0 1
 O    4.625300     -0.9882000     -9.8000001E-03
 O   9.6500002E-02  -1.308700      -2.656600    
 O   -3.734400       2.747100     -0.4103000    
 N    1.411600      4.9600001E-02  0.5662000    
 N   -2.884500      -2.510000       1.074600    
 C    3.390800      0.9216000     -0.8700000    
 C    1.413600     -0.6283000     -0.7571000    
 C    3.913300      0.1861000      0.3935000    
 C    2.495100     -3.4899998E-02  -1.686000    
 C    2.475400       2.081800     -0.4366000    
 C    2.697500     -0.2570000       1.250800    
 C    1.319200       1.519500      0.4059000    
 C   3.2200001E-02 -0.6135000      -1.415200    
 C    4.871700       1.021200       1.192500    
 C   -1.015700      -1.249100     -0.5365000    
 C    6.150200      0.6933000       1.407800    
 C   -2.147400     -0.5493000     -0.1168000    
 C  -0.8111000      -2.563400     -0.1613000    
 C   -3.072700      -1.229800      0.7021000    
 C   -2.375800      0.7870000     -0.4868000    
 C   -1.771300      -3.145100      0.6417000    
 C   -4.205000     -0.5390000       1.125000    
 C   -3.516800       1.453600     -4.9600001E-02
 C   -4.432300      0.7896000      0.7574000    
 C   -4.925300       3.365800      7.5099997E-02
 H    4.214100       1.279900      -1.498600    
 H    1.704200      -1.675900     -0.5958000    
 H    2.055000      0.5138000      -2.528000    
 H    3.098700     -0.8422000      -2.118300    
 H    2.072600       2.588600      -1.322400    
 H    3.029200       2.837900      0.1295000    
 H    2.728500      -1.331800       1.471300    
 H    2.690300      0.2397000       2.230200    
 H    1.322600       1.993200       1.396100    
 H   0.3616000       1.808700     -3.5700001E-02
 H  -0.1962000      0.4078000      -1.706800    
 H    4.501900       1.938600       1.643100    
 H    4.751200      -1.560000      0.7670000    
 H   0.6319000      -2.111700      -2.539800    
 H    6.775300       1.347600       2.007800    
 H    6.622300     -0.1974000       1.012100    
 H   4.5200001E-02  -3.146100     -0.4791000    
 H   -1.710900       1.360600      -1.120000    
 H   -1.673300      -4.175000      0.9689000    
 H   -4.936800      -1.038000       1.757800    
 H   -5.342700       1.241000       1.136900    
 H   -4.926600       3.432900       1.168400    
 H   -5.822200       2.869700     -0.3109000    
 H   -4.936500       4.391300     -0.3085000    


%chk=000124012-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124012

0 1
O 4.584917 -1.163738 -0.150612
O 0.080996 -1.102423 -2.665475
O -4.018727 2.712984 -0.491593
N 1.517046 0.169065 0.636036
N -2.992972 -2.588246 1.105676
C 3.543248 0.917992 -0.809572
C 1.479584 -0.535662 -0.693557
C 4.055655 0.096448 0.421282
C 2.569792 0.048180 -1.651340
C 2.762056 2.164394 -0.312972
C 2.783827 -0.198383 1.324171
C 1.492303 1.657985 0.465719
C 0.059138 -0.497626 -1.308567
C 5.133434 0.826804 1.202039
C -1.006204 -1.165654 -0.443046
C 6.458418 0.536917 1.169936
C -2.249004 -0.514249 -0.088066
C -0.820850 -2.485913 -0.012870
C -3.208464 -1.277594 0.697142
C -2.585893 0.821964 -0.458410
C -1.827068 -3.156447 0.747240
C -4.443454 -0.666947 1.075791
C -3.805585 1.391475 -0.068866
C -4.748965 0.643450 0.708542
C -5.283105 3.357331 -0.126128
H 4.415650 1.217533 -1.415365
H 1.738311 -1.590914 -0.475782
H 2.105298 0.676488 -2.435259
H 3.117174 -0.760247 -2.158866
H 2.469200 2.771030 -1.189632
H 3.396109 2.806745 0.325208
H 2.759819 -1.278554 1.560569
H 2.826779 0.360603 2.276891
H 1.436494 2.102677 1.475618
H 0.561758 1.940654 -0.054772
H -0.209365 0.547702 -1.525380
H 4.779699 1.643309 1.848588
H 5.018374 -1.671563 0.583603
H 0.166596 -2.086164 -2.569049
H 7.177552 1.100239 1.773882
H 6.858939 -0.251081 0.521309
H 0.106809 -3.025673 -0.237350
H -1.914921 1.437015 -1.063734
H -1.669307 -4.190520 1.076668
H -5.138927 -1.271467 1.665821
H -5.702127 1.085626 1.012638
H -5.395802 3.433805 0.972754
H -6.150563 2.818337 -0.553731
H -5.224173 4.365412 -0.561926


